4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

C24H23N5O — CID 112937206

IUPAC4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(C)cc1Nc1cc(-c2ccccc2)nc(NCc2ccccn2)n1
InChIInChI=1S/C24H23N5O/c1-17-11-12-22(30-2)21(14-17)27-23-15-20(18-8-4-3-5-9-18)28-24(29-23)26-16-19-10-6-7-13-25-19/h3-15H,16H2,1-2H3,(H2,26,27,28,29)
InChIKeySGLKJNKKOWOWMZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.21
Rot. Bonds7

About 4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine

4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112937206) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112937206
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(C)cc1Nc1cc(-c2ccccc2)nc(NCc2ccccn2)n1
InChIInChI=1S/C24H23N5O/c1-17-11-12-22(30-2)21(14-17)27-23-15-20(18-8-4-3-5-9-18)28-24(29-23)26-16-19-10-6-7-13-25-19/h3-15H,16H2,1-2H3,(H2,26,27,28,29)
InChIKeySGLKJNKKOWOWMZ-UHFFFAOYSA-N
XLogP5.21
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2,5-dimethylphenyl)-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937128
4-N-(3-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937182
2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936942
2-[[6-phenyl-2-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112937214
2-N-(3,5-dimethylphenyl)-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937130
4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932591
4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112889503
N-(2-methoxy-5-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306967
6-phenyl-4-N-(1-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936948
2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893230
4-N,4-N-diethyl-2-N-(2-methoxy-5-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937674
4-N-cycloheptyl-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112937172

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112937206) is 4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is COc1ccc(C)cc1Nc1cc(-c2ccccc2)nc(NCc2ccccn2)n1.
What is the InChIKey of 4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is SGLKJNKKOWOWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-17-11-12-22(30-2)21(14-17)27-23-15-20(18-8-4-3-5-9-18)28-24(29-23)26-16-19-10-6-7-13-25-19/h3-15H,16H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 397.48 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxy-5-methylphenyl)-6-phenyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112937206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).