6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine

C20H23N5O — CID 142394027

IUPAC6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)cc(CN(C)Cc3ccccc3)n2)cc1
InChIInChI=1S/C20H23N5O/c1-25(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/h3-12H,13-14H2,1-2H3,(H3,21,22,23,24)
InChIKeyVSXIHPYFRTUXII-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.44
Rot. Bonds7

About 6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine

6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 142394027) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID142394027
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)cc(CN(C)Cc3ccccc3)n2)cc1
InChIInChI=1S/C20H23N5O/c1-25(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/h3-12H,13-14H2,1-2H3,(H3,21,22,23,24)
InChIKeyVSXIHPYFRTUXII-UHFFFAOYSA-N
XLogP3.44
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-N-(3-methoxyphenyl)-6-[[(4-methoxyphenyl)methyl-methylamino]methyl]pyrimidine-2,4-diamine
CID 135188115
6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 133054578
4-N-benzyl-4-N-ethyl-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918940
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
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-benzyl-N-ethyl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109329593
6-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 17489842
2-N-(4-fluorophenyl)-6-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 26300352
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
4-N,4-N-dimethyl-2-N-phenylpyrimidine-2,4,6-triamine
CID 142666881
2-[[benzyl(methyl)amino]methyl]quinolin-4-amine
CID 115485704

Frequently Asked Questions

What is the IUPAC name of 6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine (CID 142394027) is 6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(Nc2nc(N)cc(CN(C)Cc3ccccc3)n2)cc1.
What is the InChIKey of 6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is VSXIHPYFRTUXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-25(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/h3-12H,13-14H2,1-2H3,(H3,21,22,23,24).
What are the key properties of 6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 349.44 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[benzyl(methyl)amino]methyl]-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 142394027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).