2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine

C24H22N4O — CID 112936904

IUPAC2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(-c3ccccc3)nc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C24H22N4O/c1-29-21-14-12-20(13-15-21)26-23-16-22(19-10-6-3-7-11-19)27-24(28-23)25-17-18-8-4-2-5-9-18/h2-16H,17H2,1H3,(H2,25,26,27,28)
InChIKeyQJPMNAQOWZVRJP-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.51
Rot. Bonds7

About 2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine

2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 112936904) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID112936904
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(-c3ccccc3)nc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C24H22N4O/c1-29-21-14-12-20(13-15-21)26-23-16-22(19-10-6-3-7-11-19)27-24(28-23)25-17-18-8-4-2-5-9-18/h2-16H,17H2,1H3,(H2,25,26,27,28)
InChIKeyQJPMNAQOWZVRJP-UHFFFAOYSA-N
XLogP5.51
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-butyl-2-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112933559
4-N-tert-butyl-2-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112937801
2-N-[(4-methoxyphenyl)methyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933268
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylbutyl)-6-phenylpyrimidine-2,4-diamine
CID 112937070
4-N-[(4-methoxyphenyl)methyl]-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932810
4-N-(4-bromophenyl)-2-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935080
4-N-(3-methoxyphenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935328
4-N-(4-fluorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935315
2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112934005
4-[[2-[(4-fluorophenyl)methylamino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112937018
4-N-(4-fluorophenyl)-2-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918608
N-(4-methoxyphenyl)-6-phenyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3378255

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine (CID 112936904) is 2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine is COc1ccc(Nc2cc(-c3ccccc3)nc(NCc3ccccc3)n2)cc1.
What is the InChIKey of 2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is QJPMNAQOWZVRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-29-21-14-12-20(13-15-21)26-23-16-22(19-10-6-3-7-11-19)27-24(28-23)25-17-18-8-4-2-5-9-18/h2-16H,17H2,1H3,(H2,25,26,27,28).
What are the key properties of 2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 382.47 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112936904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).