5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine

C186H292N32 — CID 159429268

IUPAC5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine
SMILESCCCCCCCCN(CCCCCCCC)c1ncc(Cc2ccc(C(C)(C)C)cc2)cn1.CCCCCCCc1ncc(Cc2cnc(CCCCCCC)nc2)cn1.CCCCCCCc1ncc(Cc2cnc(N(CCCC)CCCC)nc2)cn1.CCCCCCN(CCCCCC)c1ccc(Cc2cnc(N(CCCC)CCCC)nc2)cn1.CCCCCCN(CCCCCC)c1ncc(Cc2ccccc2)cn1.CCCCN(CCCC)c1ncc(Cc2cnc(N(CCCC)CCCC)nc2)cn1.CN(C)c1ncc(Cc2ccc(C(C)(C)C)cc2)cn1.CN(C)c1ncc(Cc2ccccc2)cn1
InChIInChI=1S/C31H51N3.C30H51N5.C25H42N6.C24H39N5.C23H36N4.C23H35N3.C17H23N3.C13H15N3/c1-6-8-10-12-14-16-22-34(23-17-15-13-11-9-7-2)30-32-25-28(26-33-30)24-27-18-20-29(21-19-27)31(3,4)5;1-5-9-13-15-21-34(22-16-14-10-6-2)29-18-17-27(24-31-29)23-28-25-32-30(33-26-28)35(19-11-7-3)20-12-8-4;1-5-9-13-30(14-10-6-2)24-26-18-22(19-27-24)17-23-20-28-25(29-21-23)31(15-11-7-3)16-12-8-4;1-4-7-10-11-12-13-23-25-17-21(18-26-23)16-22-19-27-24(28-20-22)29(14-8-5-2)15-9-6-3;1-3-5-7-9-11-13-22-24-16-20(17-25-22)15-21-18-26-23(27-19-21)14-12-10-8-6-4-2;1-3-5-7-12-16-26(17-13-8-6-4-2)23-24-19-22(20-25-23)18-21-14-10-9-11-15-21;1-17(2,3)15-8-6-13(7-9-15)10-14-11-18-16(19-12-14)20(4)5;1-16(2)13-14-9-12(10-15-13)8-11-6-4-3-5-7-11/h18-21,25-26H,6-17,22-24H2,1-5H3;17-18,24-26H,5-16,19-23H2,1-4H3;18-21H,5-17H2,1-4H3;17-20H,4-16H2,1-3H3;16-19H,3-15H2,1-2H3;9-11,14-15,19-20H,3-8,12-13,16-18H2,1-2H3;6-9,11-12H,10H2,1-5H3;3-7,9-10H,8H2,1-2H3
InChIKeyLQTVXYOCRJNDHE-UHFFFAOYSA-N
MW2976.61 g/mol
LogP45.66
Rot. Bonds101

About 5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine

5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine (PubChem CID 159429268) has the molecular formula C186H292N32 and a molecular weight of 2976.61 g/mol. Its IUPAC name is 5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine.

Molecular Properties

Compound Name5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine
PubChem CID159429268
Molecular FormulaC186H292N32
Molecular Weight2976.61 g/mol
Exact Mass2974.38
IUPAC Name5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine
SMILESCCCCCCCCN(CCCCCCCC)c1ncc(Cc2ccc(C(C)(C)C)cc2)cn1.CCCCCCCc1ncc(Cc2cnc(CCCCCCC)nc2)cn1.CCCCCCCc1ncc(Cc2cnc(N(CCCC)CCCC)nc2)cn1.CCCCCCN(CCCCCC)c1ccc(Cc2cnc(N(CCCC)CCCC)nc2)cn1.CCCCCCN(CCCCCC)c1ncc(Cc2ccccc2)cn1.CCCCN(CCCC)c1ncc(Cc2cnc(N(CCCC)CCCC)nc2)cn1.CN(C)c1ncc(Cc2ccc(C(C)(C)C)cc2)cn1.CN(C)c1ncc(Cc2ccccc2)cn1
InChIInChI=1S/C31H51N3.C30H51N5.C25H42N6.C24H39N5.C23H36N4.C23H35N3.C17H23N3.C13H15N3/c1-6-8-10-12-14-16-22-34(23-17-15-13-11-9-7-2)30-32-25-28(26-33-30)24-27-18-20-29(21-19-27)31(3,4)5;1-5-9-13-15-21-34(22-16-14-10-6-2)29-18-17-27(24-31-29)23-28-25-32-30(33-26-28)35(19-11-7-3)20-12-8-4;1-5-9-13-30(14-10-6-2)24-26-18-22(19-27-24)17-23-20-28-25(29-21-23)31(15-11-7-3)16-12-8-4;1-4-7-10-11-12-13-23-25-17-21(18-26-23)16-22-19-27-24(28-20-22)29(14-8-5-2)15-9-6-3;1-3-5-7-9-11-13-22-24-16-20(17-25-22)15-21-18-26-23(27-19-21)14-12-10-8-6-4-2;1-3-5-7-12-16-26(17-13-8-6-4-2)23-24-19-22(20-25-23)18-21-14-10-9-11-15-21;1-17(2,3)15-8-6-13(7-9-15)10-14-11-18-16(19-12-14)20(4)5;1-16(2)13-14-9-12(10-15-13)8-11-6-4-3-5-7-11/h18-21,25-26H,6-17,22-24H2,1-5H3;17-18,24-26H,5-16,19-23H2,1-4H3;18-21H,5-17H2,1-4H3;17-20H,4-16H2,1-3H3;16-19H,3-15H2,1-2H3;9-11,14-15,19-20H,3-8,12-13,16-18H2,1-2H3;6-9,11-12H,10H2,1-5H3;3-7,9-10H,8H2,1-2H3
InChIKeyLQTVXYOCRJNDHE-UHFFFAOYSA-N
XLogP45.66
TPSA325.63 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds101
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002976.61
LogP ≤ 545.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine 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

5-N-(4-tert-butylphenyl)-2-N,2-N-dihexylpyridine-2,5-diamine
CID 146305639
5-(2-phenylethyl)-N,N-dipropylpyridin-2-amine
CID 174628687
N-butyl-N-(3,3-dimethylbutyl)-5-propylpyrimidin-2-amine
CID 18736096
1-tert-butyl-4-undecylbenzene
CID 162402478
N-butyl-N,5-dipropylpyrimidin-2-amine
CID 71106875
N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine
CID 61256376
N-butyl-5-ethyl-N-propylpyrimidin-2-amine
CID 71107630
tert-butylbenzene;hexane
CID 175254424
1-benzyl-3,5-dioctylbenzene
CID 22920470
N,N-dihexyl-12-phenyldodecan-1-amine
CID 158185325
N-octyl-N-(5-phenylpentyl)octan-1-amine
CID 175488392
N-[4-[6-(diethylamino)-3-pyridinyl]-2,4-dimethylpentyl]-5-docosylpyridin-2-amine
CID 139458996

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine?
The IUPAC name of 5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine (CID 159429268) is 5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine.
What is the SMILES notation for 5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine?
The canonical SMILES for 5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine is CCCCCCCCN(CCCCCCCC)c1ncc(Cc2ccc(C(C)(C)C)cc2)cn1.CCCCCCCc1ncc(Cc2cnc(CCCCCCC)nc2)cn1.CCCCCCCc1ncc(Cc2cnc(N(CCCC)CCCC)nc2)cn1.CCCCCCN(CCCCCC)c1ccc(Cc2cnc(N(CCCC)CCCC)nc2)cn1.CCCCCCN(CCCCCC)c1ncc(Cc2ccccc2)cn1.CCCCN(CCCC)c1ncc(Cc2cnc(N(CCCC)CCCC)nc2)cn1.CN(C)c1ncc(Cc2ccc(C(C)(C)C)cc2)cn1.CN(C)c1ncc(Cc2ccccc2)cn1.
What is the InChIKey of 5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine?
The InChIKey is LQTVXYOCRJNDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H51N3.C30H51N5.C25H42N6.C24H39N5.C23H36N4.C23H35N3.C17H23N3.C13H15N3/c1-6-8-10-12-14-16-22-34(23-17-15-13-11-9-7-2)30-32-25-28(26-33-30)24-27-18-20-29(21-19-27)31(3,4)5;1-5-9-13-15-21-34(22-16-14-10-6-2)29-18-17-27(24-31-29)23-28-25-32-30(33-26-28)35(19-11-7-3)20-12-8-4;1-5-9-13-30(14-10-6-2)24-26-18-22(19-27-24)17-23-20-28-25(29-21-23)31(15-11-7-3)16-12-8-4;1-4-7-10-11-12-13-23-25-17-21(18-26-23)16-22-19-27-24(28-20-22)29(14-8-5-2)15-9-6-3;1-3-5-7-9-11-13-22-24-16-20(17-25-22)15-21-18-26-23(27-19-21)14-12-10-8-6-4-2;1-3-5-7-12-16-26(17-13-8-6-4-2)23-24-19-22(20-25-23)18-21-14-10-9-11-15-21;1-17(2,3)15-8-6-13(7-9-15)10-14-11-18-16(19-12-14)20(4)5;1-16(2)13-14-9-12(10-15-13)8-11-6-4-3-5-7-11/h18-21,25-26H,6-17,22-24H2,1-5H3;17-18,24-26H,5-16,19-23H2,1-4H3;18-21H,5-17H2,1-4H3;17-20H,4-16H2,1-3H3;16-19H,3-15H2,1-2H3;9-11,14-15,19-20H,3-8,12-13,16-18H2,1-2H3;6-9,11-12H,10H2,1-5H3;3-7,9-10H,8H2,1-2H3.
What are the key properties of 5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine?
5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine has a molecular weight of 2976.61 g/mol, XLogP of 45.66, 101 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N,N-dihexylpyrimidin-2-amine;5-benzyl-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrimidin-2-amine;5-[(4-tert-butylphenyl)methyl]-N,N-dioctylpyrimidin-2-amine;N,N-dibutyl-5-[[2-(dibutylamino)pyrimidin-5-yl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[[6-(dihexylamino)-3-pyridinyl]methyl]pyrimidin-2-amine;N,N-dibutyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidin-2-amine;2-heptyl-5-[(2-heptylpyrimidin-5-yl)methyl]pyrimidine is sourced from PubChem (CID 159429268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).