4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine

C21H22N4 — CID 112879514

IUPAC4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine
SMILESCCc1ccccc1Nc1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H22N4/c1-2-15-8-6-7-11-18(15)23-20-14-19(22-17-12-13-17)24-21(25-20)16-9-4-3-5-10-16/h3-11,14,17H,2,12-13H2,1H3,(H2,22,23,24,25)
InChIKeyNDQUWATWUGCNOM-UHFFFAOYSA-N
MW330.44 g/mol
LogP5.02
Rot. Bonds6

About 4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112879514) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112879514
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine
SMILESCCc1ccccc1Nc1cc(NC2CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H22N4/c1-2-15-8-6-7-11-18(15)23-20-14-19(22-17-12-13-17)24-21(25-20)16-9-4-3-5-10-16/h3-11,14,17H,2,12-13H2,1H3,(H2,22,23,24,25)
InChIKeyNDQUWATWUGCNOM-UHFFFAOYSA-N
XLogP5.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.44
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopentyl-6-N-(2-ethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112868692
4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 112854775
4-N-cyclopropyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879169
N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880553
4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528
4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112879570
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
4-N-cyclopropyl-6-N-(2,6-diethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867547
6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616
4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112879566
4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880075
1-[4-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880079

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine (CID 112879514) is 4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine is CCc1ccccc1Nc1cc(NC2CC2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is NDQUWATWUGCNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-15-8-6-7-11-18(15)23-20-14-19(22-17-12-13-17)24-21(25-20)16-9-4-3-5-10-16/h3-11,14,17H,2,12-13H2,1H3,(H2,22,23,24,25).
What are the key properties of 4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 330.44 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-(2-ethylphenyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112879514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).