4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine

C24H22N4O — CID 112890932

IUPAC4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1)c1ccnc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C24H22N4O/c1-28(18-19-10-4-2-5-11-19)23-16-17-25-24(27-23)26-21-14-8-9-15-22(21)29-20-12-6-3-7-13-20/h2-17H,18H2,1H3,(H,25,26,27)
InChIKeyFVPCTYLDTDBUCY-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.65
Rot. Bonds7

About 4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine

4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112890932) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112890932
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1)c1ccnc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C24H22N4O/c1-28(18-19-10-4-2-5-11-19)23-16-17-25-24(27-23)26-21-14-8-9-15-22(21)29-20-12-6-3-7-13-20/h2-17H,18H2,1H3,(H,25,26,27)
InChIKeyFVPCTYLDTDBUCY-UHFFFAOYSA-N
XLogP5.65
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112890866
2-N-(2-methylphenyl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112901866
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
4-(4-ethylpiperazin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-2-amine
CID 112888352
N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314355
2-N-(1,3-benzodioxol-5-yl)-4-N-benzyl-4-N-methylpyrimidine-2,4-diamine
CID 112890926
4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890671
4-N-benzyl-4-N-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890797
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112891495
4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
CID 112884942
4-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794833
4-N-[(4-methoxyphenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794760

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine (CID 112890932) is 4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine is CN(Cc1ccccc1)c1ccnc(Nc2ccccc2Oc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is FVPCTYLDTDBUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-28(18-19-10-4-2-5-11-19)23-16-17-25-24(27-23)26-21-14-8-9-15-22(21)29-20-12-6-3-7-13-20/h2-17H,18H2,1H3,(H,25,26,27).
What are the key properties of 4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 382.47 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112890932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).