4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine

C14H16N4 — CID 83718542

IUPAC4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C14H16N4/c1-10-9-13(16-12-7-8-12)18-14(15-10)17-11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyKGJVVJIPHPTZJI-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.10
Rot. Bonds4

About 4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine

4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 83718542) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID83718542
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(NC2CC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C14H16N4/c1-10-9-13(16-12-7-8-12)18-14(15-10)17-11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H2,15,16,17,18)
InChIKeyKGJVVJIPHPTZJI-UHFFFAOYSA-N
XLogP3.10
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112924879
2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910433
2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropyl-6-methylpyrimidine-2,4-diamine
CID 112907475
4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80769558
6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117083923
4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924888
1-[4-[[4-(cyclopentylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112909732
4-N-cycloheptyl-6-methyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112924917
4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112909762
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926803
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine;methane
CID 157311449
1-[3-[[4-(cyclohexylamino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112910457

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine (CID 83718542) is 4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine is Cc1cc(NC2CC2)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is KGJVVJIPHPTZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-9-13(16-12-7-8-12)18-14(15-10)17-11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 240.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 83718542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).