6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C20H22N4O — CID 112879380

IUPAC6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCOc1ccccc1Nc1cc(NC(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C20H22N4O/c1-14(2)21-18-13-19(22-16-11-7-8-12-17(16)25-3)24-20(23-18)15-9-5-4-6-10-15/h4-14H,1-3H3,(H2,21,22,23,24)
InChIKeyFTZNHWCGFOSWGE-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.72
Rot. Bonds6

About 6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine

6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 112879380) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID112879380
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCOc1ccccc1Nc1cc(NC(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C20H22N4O/c1-14(2)21-18-13-19(22-16-11-7-8-12-17(16)25-3)24-20(23-18)15-9-5-4-6-10-15/h4-14H,1-3H3,(H2,21,22,23,24)
InChIKeyFTZNHWCGFOSWGE-UHFFFAOYSA-N
XLogP4.72
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-phenyl-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112879414
6-N-(3-methylphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112879366
methyl 3-[[2-phenyl-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzoate
CID 112879396
N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851919
4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880075
6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879752
6-N-(1,3-benzodioxol-5-yl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112879405
4-N-(2,4-dimethoxyphenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879673
N-(2-methoxyphenyl)-4-methylquinolin-2-amine
CID 847633
6-N-(2-methoxyethyl)-2-phenyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112880306
N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880134
2-tert-butyl-4-N-(2-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80956487

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 112879380) is 6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine is COc1ccccc1Nc1cc(NC(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of 6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is FTZNHWCGFOSWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14(2)21-18-13-19(22-16-11-7-8-12-17(16)25-3)24-20(23-18)15-9-5-4-6-10-15/h4-14H,1-3H3,(H2,21,22,23,24).
What are the key properties of 6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 334.42 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyphenyl)-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).