6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine

C81H92N20O3 — CID 164959668

IUPAC6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)cc(CN(C)Cc3ccccc3)n2)cc1.COc1cccc(Nc2nc(N)cc(CN(C)Cc3ccccc3)n2)c1.COc1ccccc1Nc1nc(N)cc(CN2CCc3ccccc3C2)n1.Cc1cccc(Nc2nc(N)cc(CN(C)Cc3ccccc3)n2)c1
InChIInChI=1S/C21H23N5O.2C20H23N5O.C20H23N5/c1-27-19-9-5-4-8-18(19)24-21-23-17(12-20(22)25-21)14-26-11-10-15-6-2-3-7-16(15)13-26;1-25(13-15-7-4-3-5-8-15)14-17-12-19(21)24-20(23-17)22-16-9-6-10-18(11-16)26-2;1-25(13-15-6-4-3-5-7-15)14-17-12-19(21)24-20(23-17)22-16-8-10-18(26-2)11-9-16;1-15-7-6-10-17(11-15)22-20-23-18(12-19(21)24-20)14-25(2)13-16-8-4-3-5-9-16/h2-9,12H,10-11,13-14H2,1H3,(H3,22,23,24,25);2*3-12H,13-14H2,1-2H3,(H3,21,22,23,24);3-12H,13-14H2,1-2H3,(H3,21,22,23,24)
InChIKeyBQWGUVZXPNZRJQ-UHFFFAOYSA-N
MW1393.76 g/mol
LogP14.00
Rot. Bonds25

About 6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine

6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 164959668) has the molecular formula C81H92N20O3 and a molecular weight of 1393.76 g/mol. Its IUPAC name is 6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID164959668
Molecular FormulaC81H92N20O3
Molecular Weight1393.76 g/mol
Exact Mass1392.77
IUPAC Name6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)cc(CN(C)Cc3ccccc3)n2)cc1.COc1cccc(Nc2nc(N)cc(CN(C)Cc3ccccc3)n2)c1.COc1ccccc1Nc1nc(N)cc(CN2CCc3ccccc3C2)n1.Cc1cccc(Nc2nc(N)cc(CN(C)Cc3ccccc3)n2)c1
InChIInChI=1S/C21H23N5O.2C20H23N5O.C20H23N5/c1-27-19-9-5-4-8-18(19)24-21-23-17(12-20(22)25-21)14-26-11-10-15-6-2-3-7-16(15)13-26;1-25(13-15-7-4-3-5-8-15)14-17-12-19(21)24-20(23-17)22-16-9-6-10-18(11-16)26-2;1-25(13-15-6-4-3-5-7-15)14-17-12-19(21)24-20(23-17)22-16-8-10-18(26-2)11-9-16;1-15-7-6-10-17(11-15)22-20-23-18(12-19(21)24-20)14-25(2)13-16-8-4-3-5-9-16/h2-9,12H,10-11,13-14H2,1H3,(H3,22,23,24,25);2*3-12H,13-14H2,1-2H3,(H3,21,22,23,24);3-12H,13-14H2,1-2H3,(H3,21,22,23,24)
InChIKeyBQWGUVZXPNZRJQ-UHFFFAOYSA-N
XLogP14.00
TPSA295.97 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds25
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001393.76
LogP ≤ 514.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze 6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 142394027
6-[[benzyl(methyl)amino]methyl]-4-N-(4-ethylphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;bis(6-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine);6-[[benzyl(methyl)amino]methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine;6-[(N-methylanilino)methyl]-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 161041251
N-[[2-amino-6-(3-methoxyanilino)pyrimidin-4-yl]methyl]-N-methylbenzamide;2-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine;2-[[benzyl(methyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine;2-[[benzyl(methyl)amino]methyl]-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine;2-[[benzyl(methyl)amino]methyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine;4-N-(4-methylphenyl)-6-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrimidine-2,4-diamine;4-N-(4-methylphenyl)-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyrimidine-2,4-diamine
CID 165104348
N-(4-methoxyphenyl)-6-[(3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960365
4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine
CID 135188115
N-(2,5-dimethoxyphenyl)-6-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960513
2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580362
6-[(4-benzylpiperazin-1-yl)methyl]-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3162730
4-N-(1,3-benzodioxol-5-yl)-6-[[benzyl(methyl)amino]methyl]pyrimidine-2,4-diamine;6-[[benzyl(ethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(2-methoxyethyl)amino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine;6-[[(4-fluorophenyl)methyl-methylamino]methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[(3-methoxy-N-methylanilino)methyl]-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[(4-methoxyphenyl)methyl-methylamino]methyl]-4-N-(3-methylphenyl)pyrimidine-2,4-diamine;4-N-(3-methoxyphenyl)-6-[(2-phenylpyrrolidin-1-yl)methyl]pyrimidine-2,4-diamine
CID 164986795
6-[[(2-methoxy-5-methylphenyl)methyl-methylamino]methyl]-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 18094962
6-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;6-[(4-methylphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;2-N-(4-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine;2-N,4-N,6-N-tris(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159663695
6-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 20960315

Frequently Asked Questions

What is the IUPAC name of 6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine (CID 164959668) is 6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(Nc2nc(N)cc(CN(C)Cc3ccccc3)n2)cc1.COc1cccc(Nc2nc(N)cc(CN(C)Cc3ccccc3)n2)c1.COc1ccccc1Nc1nc(N)cc(CN2CCc3ccccc3C2)n1.Cc1cccc(Nc2nc(N)cc(CN(C)Cc3ccccc3)n2)c1.
What is the InChIKey of 6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is BQWGUVZXPNZRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O.2C20H23N5O.C20H23N5/c1-27-19-9-5-4-8-18(19)24-21-23-17(12-20(22)25-21)14-26-11-10-15-6-2-3-7-16(15)13-26;1-25(13-15-7-4-3-5-8-15)14-17-12-19(21)24-20(23-17)22-16-9-6-10-18(11-16)26-2;1-25(13-15-6-4-3-5-7-15)14-17-12-19(21)24-20(23-17)22-16-8-10-18(26-2)11-9-16;1-15-7-6-10-17(11-15)22-20-23-18(12-19(21)24-20)14-25(2)13-16-8-4-3-5-9-16/h2-9,12H,10-11,13-14H2,1H3,(H3,22,23,24,25);2*3-12H,13-14H2,1-2H3,(H3,21,22,23,24);3-12H,13-14H2,1-2H3,(H3,21,22,23,24).
What are the key properties of 6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine?
6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 1393.76 g/mol, XLogP of 14.00, 25 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(methyl)amino]methyl]-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine;6-[[benzyl(methyl)amino]methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-N-(2-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 164959668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).