4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine

C77H65ClF6N24O6 — CID 163699695

IUPAC4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2nc(-c3c(C)nc4ccc(F)cn34)nc(N)c2F)cc1.COc1ccc(Nc2nc(-n3c(C)nc4ccc(OC)cc43)nc(N)c2F)cc1.COc1ccc2nc(C)n(-c3nc(N)c(F)c(Nc4ccc5c(c4)OCO5)n3)c2c1.Cc1nc2ccc(F)cn2c1-c1nc(N)c(F)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17FN6O3.C20H19FN6O2.C19H16F2N6O.C18H13ClF2N6/c1-10-23-13-5-4-12(28-2)8-14(13)27(10)20-25-18(22)17(21)19(26-20)24-11-3-6-15-16(7-11)30-9-29-15;1-11-23-15-9-8-14(29-3)10-16(15)27(11)20-25-18(22)17(21)19(26-20)24-12-4-6-13(28-2)7-5-12;1-10-16(27-9-11(20)3-8-14(27)23-10)19-25-17(22)15(21)18(26-19)24-12-4-6-13(28-2)7-5-12;1-9-15(27-8-11(20)4-7-13(27)23-9)18-25-16(22)14(21)17(26-18)24-12-5-2-10(19)3-6-12/h3-8H,9H2,1-2H3,(H3,22,24,25,26);4-10H,1-3H3,(H3,22,24,25,26);3-9H,1-2H3,(H3,22,24,25,26);2-8H,1H3,(H3,22,24,25,26)
InChIKeyJZXRVSNGIDONIV-UHFFFAOYSA-N
MW1571.97 g/mol
LogP15.00
Rot. Bonds16

About 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine

4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 163699695) has the molecular formula C77H65ClF6N24O6 and a molecular weight of 1571.97 g/mol. Its IUPAC name is 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
PubChem CID163699695
Molecular FormulaC77H65ClF6N24O6
Molecular Weight1571.97 g/mol
Exact Mass1570.51
IUPAC Name4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccc(Nc2nc(-c3c(C)nc4ccc(F)cn34)nc(N)c2F)cc1.COc1ccc(Nc2nc(-n3c(C)nc4ccc(OC)cc43)nc(N)c2F)cc1.COc1ccc2nc(C)n(-c3nc(N)c(F)c(Nc4ccc5c(c4)OCO5)n3)c2c1.Cc1nc2ccc(F)cn2c1-c1nc(N)c(F)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17FN6O3.C20H19FN6O2.C19H16F2N6O.C18H13ClF2N6/c1-10-23-13-5-4-12(28-2)8-14(13)27(10)20-25-18(22)17(21)19(26-20)24-11-3-6-15-16(7-11)30-9-29-15;1-11-23-15-9-8-14(29-3)10-16(15)27(11)20-25-18(22)17(21)19(26-20)24-12-4-6-13(28-2)7-5-12;1-10-16(27-9-11(20)3-8-14(27)23-10)19-25-17(22)15(21)18(26-19)24-12-4-6-13(28-2)7-5-12;1-9-15(27-8-11(20)4-7-13(27)23-9)18-25-16(22)14(21)17(26-18)24-12-5-2-10(19)3-6-12/h3-8H,9H2,1-2H3,(H3,22,24,25,26);4-10H,1-3H3,(H3,22,24,25,26);3-9H,1-2H3,(H3,22,24,25,26);2-8H,1H3,(H3,22,24,25,26)
InChIKeyJZXRVSNGIDONIV-UHFFFAOYSA-N
XLogP15.00
TPSA380.94 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds16
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001571.97
LogP ≤ 515.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine 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

2-(6-amino-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 90182221
5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 90182271
5-fluoro-4-N-(3-methoxyphenyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 90178193
2-(6-amino-2-methylbenzimidazol-1-yl)-4-N-[4-(difluoromethoxy)phenyl]-5-fluoropyrimidine-4,6-diamine;2-(6-amino-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine;4-N-(4-chloro-3-fluorophenyl)-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
CID 163785340
4-N-(4-chlorophenyl)-2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-5-fluoro-2-[2-(methoxymethyl)benzimidazol-1-yl]pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 163578562
[1-[4-amino-5-fluoro-6-(4-methoxyanilino)pyrimidin-2-yl]-2-methylbenzimidazol-5-yl]-methoxy-oxoazanium
CID 123547631
3-[4-amino-5-fluoro-6-(4-methylanilino)pyrimidin-2-yl]-2-methylbenzimidazole-5-carbonitrile
CID 90177114
4-N-(4-chlorophenyl)-2-(2-ethylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine
CID 90177222
5-fluoro-2-(6-isocyano-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 123164424
5-fluoro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 74766646
N-(4-chloro-3-fluorophenyl)-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethoxy)phenyl]pyridine-2,4-diamine;2-(3-fluoroanilino)-6-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-6-(3-methoxyanilino)pyridine-4-carbonitrile
CID 159744803
2-(2-ethylbenzimidazol-1-yl)-5-fluoro-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;2-(2-ethylbenzimidazol-1-yl)-5-fluoro-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 159358946

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine (CID 163699695) is 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine is COc1ccc(Nc2nc(-c3c(C)nc4ccc(F)cn34)nc(N)c2F)cc1.COc1ccc(Nc2nc(-n3c(C)nc4ccc(OC)cc43)nc(N)c2F)cc1.COc1ccc2nc(C)n(-c3nc(N)c(F)c(Nc4ccc5c(c4)OCO5)n3)c2c1.Cc1nc2ccc(F)cn2c1-c1nc(N)c(F)c(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is JZXRVSNGIDONIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O3.C20H19FN6O2.C19H16F2N6O.C18H13ClF2N6/c1-10-23-13-5-4-12(28-2)8-14(13)27(10)20-25-18(22)17(21)19(26-20)24-11-3-6-15-16(7-11)30-9-29-15;1-11-23-15-9-8-14(29-3)10-16(15)27(11)20-25-18(22)17(21)19(26-20)24-12-4-6-13(28-2)7-5-12;1-10-16(27-9-11(20)3-8-14(27)23-10)19-25-17(22)15(21)18(26-19)24-12-4-6-13(28-2)7-5-12;1-9-15(27-8-11(20)4-7-13(27)23-9)18-25-16(22)14(21)17(26-18)24-12-5-2-10(19)3-6-12/h3-8H,9H2,1-2H3,(H3,22,24,25,26);4-10H,1-3H3,(H3,22,24,25,26);3-9H,1-2H3,(H3,22,24,25,26);2-8H,1H3,(H3,22,24,25,26).
What are the key properties of 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine?
4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 1571.97 g/mol, XLogP of 15.00, 16 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-benzodioxol-5-yl)-5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;5-fluoro-2-(6-methoxy-2-methylbenzimidazol-1-yl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 163699695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).