4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine

C20H22N4 — CID 112933760

IUPAC4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(-c2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-15(2)14-21-19-13-18(16-9-5-3-6-10-16)23-20(24-19)22-17-11-7-4-8-12-17/h3-13,15H,14H2,1-2H3,(H2,21,22,23,24)
InChIKeyCUMLSIZHFVPBOO-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.96
Rot. Bonds6

About 4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine

4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine (PubChem CID 112933760) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine
PubChem CID112933760
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine
SMILESCC(C)CNc1cc(-c2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-15(2)14-21-19-13-18(16-9-5-3-6-10-16)23-20(24-19)22-17-11-7-4-8-12-17/h3-13,15H,14H2,1-2H3,(H2,21,22,23,24)
InChIKeyCUMLSIZHFVPBOO-UHFFFAOYSA-N
XLogP4.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methylpropyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112933732
2-N-(furan-2-ylmethyl)-4-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933719
4-N-cyclopropyl-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112932921
6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 71681479
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933893
4-N-[2-(dimethylamino)ethyl]-2-N-(4-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935835
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(2-methylpropyl)-6-phenylpyrimidine-2,4-diamine
CID 112933832
N-(2-methylpropyl)-6-phenyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112933703
methyl 4-[[4-phenyl-6-(propylamino)pyrimidin-2-yl]amino]benzoate
CID 112932475
2-N-(4-bromophenyl)-4-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934933
2-N-(4-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935858
4-[[4-phenyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112932494

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine (CID 112933760) is 4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine is CC(C)CNc1cc(-c2ccccc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine?
The InChIKey is CUMLSIZHFVPBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15(2)14-21-19-13-18(16-9-5-3-6-10-16)23-20(24-19)22-17-11-7-4-8-12-17/h3-13,15H,14H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine?
4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine has a molecular weight of 318.42 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpropyl)-2-N,6-diphenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112933760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).