N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine

C131H157F6N39O9 — CID 160906083

IUPACN-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCCCCNc1nc(C)nc2ccn(Cc3cccc(CN4CCCC4)c3)c12.CCCc1ccccc1CCCn1ccc2nc(N)nc(NCCOC)c21.COCCNc1nc(C)nc2ccn(Cc3ccc(C(F)(F)F)cn3)c12.COCCNc1nc(C)nc2ccn(Cc3ncccc3OC)c12.COCCn1ccc2nc(N)nc(NCc3cc(C)on3)c21.COc1cnccc1CCCn1ccc2nc(N)nc(NCc3cc(C)on3)c21.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C23H31N5.C21H29N5O.C20H23N7O2.C19H17F3N6O.C17H18F3N5O.C17H21N5O2.C14H18N6O2/c1-3-4-11-24-23-22-21(25-18(2)26-23)10-14-28(22)17-20-9-7-8-19(15-20)16-27-12-5-6-13-27;1-3-7-16-8-4-5-9-17(16)10-6-13-26-14-11-18-19(26)20(23-12-15-27-2)25-21(22)24-18;1-13-10-15(26-29-13)11-23-19-18-16(24-20(21)25-19)6-9-27(18)8-3-4-14-5-7-22-12-17(14)28-2;1-11-7-15(27-29-11)9-24-18-17-16(25-12(2)26-18)5-6-28(17)10-14-4-3-13(8-23-14)19(20,21)22;1-11-23-14-5-7-25(15(14)16(24-11)21-6-8-26-2)10-13-4-3-12(9-22-13)17(18,19)20;1-12-20-13-6-9-22(11-14-15(24-3)5-4-7-18-14)16(13)17(21-12)19-8-10-23-2;1-9-7-10(19-22-9)8-16-13-12-11(17-14(15)18-13)3-4-20(12)5-6-21-2/h7-10,14-15H,3-6,11-13,16-17H2,1-2H3,(H,24,25,26);4-5,8-9,11,14H,3,6-7,10,12-13,15H2,1-2H3,(H3,22,23,24,25);5-7,9-10,12H,3-4,8,11H2,1-2H3,(H3,21,23,24,25);3-8H,9-10H2,1-2H3,(H,24,25,26);3-5,7,9H,6,8,10H2,1-2H3,(H,21,23,24);4-7,9H,8,10-11H2,1-3H3,(H,19,20,21);3-4,7H,5-6,8H2,1-2H3,(H3,15,16,17,18)
InChIKeySQDRYIZSNPIKNW-UHFFFAOYSA-N
MW2535.95 g/mol
LogP22.40
Rot. Bonds50

About N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine

N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 160906083) has the molecular formula C131H157F6N39O9 and a molecular weight of 2535.95 g/mol. Its IUPAC name is N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID160906083
Molecular FormulaC131H157F6N39O9
Molecular Weight2535.95 g/mol
Exact Mass2534.29
IUPAC NameN-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCCCCNc1nc(C)nc2ccn(Cc3cccc(CN4CCCC4)c3)c12.CCCc1ccccc1CCCn1ccc2nc(N)nc(NCCOC)c21.COCCNc1nc(C)nc2ccn(Cc3ccc(C(F)(F)F)cn3)c12.COCCNc1nc(C)nc2ccn(Cc3ncccc3OC)c12.COCCn1ccc2nc(N)nc(NCc3cc(C)on3)c21.COc1cnccc1CCCn1ccc2nc(N)nc(NCc3cc(C)on3)c21.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C23H31N5.C21H29N5O.C20H23N7O2.C19H17F3N6O.C17H18F3N5O.C17H21N5O2.C14H18N6O2/c1-3-4-11-24-23-22-21(25-18(2)26-23)10-14-28(22)17-20-9-7-8-19(15-20)16-27-12-5-6-13-27;1-3-7-16-8-4-5-9-17(16)10-6-13-26-14-11-18-19(26)20(23-12-15-27-2)25-21(22)24-18;1-13-10-15(26-29-13)11-23-19-18-16(24-20(21)25-19)6-9-27(18)8-3-4-14-5-7-22-12-17(14)28-2;1-11-7-15(27-29-11)9-24-18-17-16(25-12(2)26-18)5-6-28(17)10-14-4-3-13(8-23-14)19(20,21)22;1-11-23-14-5-7-25(15(14)16(24-11)21-6-8-26-2)10-13-4-3-12(9-22-13)17(18,19)20;1-12-20-13-6-9-22(11-14-15(24-3)5-4-7-18-14)16(13)17(21-12)19-8-10-23-2;1-9-7-10(19-22-9)8-16-13-12-11(17-14(15)18-13)3-4-20(12)5-6-21-2/h7-10,14-15H,3-6,11-13,16-17H2,1-2H3,(H,24,25,26);4-5,8-9,11,14H,3,6-7,10,12-13,15H2,1-2H3,(H3,22,23,24,25);5-7,9-10,12H,3-4,8,11H2,1-2H3,(H3,21,23,24,25);3-8H,9-10H2,1-2H3,(H,24,25,26);3-5,7,9H,6,8,10H2,1-2H3,(H,21,23,24);4-7,9H,8,10-11H2,1-3H3,(H,19,20,21);3-4,7H,5-6,8H2,1-2H3,(H3,15,16,17,18)
InChIKeySQDRYIZSNPIKNW-UHFFFAOYSA-N
XLogP22.40
TPSA565.51 Ų
H-Bond Donors10
H-Bond Acceptors48
Rotatable Bonds50
Heavy Atoms185
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002535.95
LogP ≤ 522.40
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine (CID 160906083) is N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine is CCCCNc1nc(C)nc2ccn(Cc3cccc(CN4CCCC4)c3)c12.CCCc1ccccc1CCCn1ccc2nc(N)nc(NCCOC)c21.COCCNc1nc(C)nc2ccn(Cc3ccc(C(F)(F)F)cn3)c12.COCCNc1nc(C)nc2ccn(Cc3ncccc3OC)c12.COCCn1ccc2nc(N)nc(NCc3cc(C)on3)c21.COc1cnccc1CCCn1ccc2nc(N)nc(NCc3cc(C)on3)c21.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is SQDRYIZSNPIKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5.C21H29N5O.C20H23N7O2.C19H17F3N6O.C17H18F3N5O.C17H21N5O2.C14H18N6O2/c1-3-4-11-24-23-22-21(25-18(2)26-23)10-14-28(22)17-20-9-7-8-19(15-20)16-27-12-5-6-13-27;1-3-7-16-8-4-5-9-17(16)10-6-13-26-14-11-18-19(26)20(23-12-15-27-2)25-21(22)24-18;1-13-10-15(26-29-13)11-23-19-18-16(24-20(21)25-19)6-9-27(18)8-3-4-14-5-7-22-12-17(14)28-2;1-11-7-15(27-29-11)9-24-18-17-16(25-12(2)26-18)5-6-28(17)10-14-4-3-13(8-23-14)19(20,21)22;1-11-23-14-5-7-25(15(14)16(24-11)21-6-8-26-2)10-13-4-3-12(9-22-13)17(18,19)20;1-12-20-13-6-9-22(11-14-15(24-3)5-4-7-18-14)16(13)17(21-12)19-8-10-23-2;1-9-7-10(19-22-9)8-16-13-12-11(17-14(15)18-13)3-4-20(12)5-6-21-2/h7-10,14-15H,3-6,11-13,16-17H2,1-2H3,(H,24,25,26);4-5,8-9,11,14H,3,6-7,10,12-13,15H2,1-2H3,(H3,22,23,24,25);5-7,9-10,12H,3-4,8,11H2,1-2H3,(H3,21,23,24,25);3-8H,9-10H2,1-2H3,(H,24,25,26);3-5,7,9H,6,8,10H2,1-2H3,(H,21,23,24);4-7,9H,8,10-11H2,1-3H3,(H,19,20,21);3-4,7H,5-6,8H2,1-2H3,(H3,15,16,17,18).
What are the key properties of N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine?
N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 2535.95 g/mol, XLogP of 22.40, 50 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(3-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;4-N-(2-methoxyethyl)-5-[3-(2-propylphenyl)propyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[3-(3-methoxy-4-pyridinyl)propyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 160906083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).