4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine

C14H16N4 — CID 66799509

IUPAC4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1ccc(-c2ncnc(NC3CC3)c2N)cc1
InChIInChI=1S/C14H16N4/c1-9-2-4-10(5-3-9)13-12(15)14(17-8-16-13)18-11-6-7-11/h2-5,8,11H,6-7,15H2,1H3,(H,16,17,18)
InChIKeyDGGBJTDKKGLQBJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.61
Rot. Bonds3

About 4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine

4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine (PubChem CID 66799509) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine
PubChem CID66799509
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine
SMILESCc1ccc(-c2ncnc(NC3CC3)c2N)cc1
InChIInChI=1S/C14H16N4/c1-9-2-4-10(5-3-9)13-12(15)14(17-8-16-13)18-11-6-7-11/h2-5,8,11H,6-7,15H2,1H3,(H,16,17,18)
InChIKeyDGGBJTDKKGLQBJ-UHFFFAOYSA-N
XLogP2.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951
N-cyclopropyl-6-(2,5-dimethylphenyl)quinazolin-4-amine
CID 91256462
6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135719
4-N-cyclopentyl-2-(4-methylphenyl)pyrimidine-4,5-diamine
CID 155116906
4-N-tert-butyl-6-N-cycloheptylpyrimidine-4,5,6-triamine
CID 22540380
4-N-cyclohexyl-6-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19135798
4-N-cyclopentyl-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147747
4-N-cyclohexyl-6-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135845
5-chloro-2-N-cyclopropylpyridine-2,3,4-triamine
CID 91239284
6-N,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80771823
6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine
CID 55143310
2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 82122216

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine (CID 66799509) is 4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine is Cc1ccc(-c2ncnc(NC3CC3)c2N)cc1.
What is the InChIKey of 4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine?
The InChIKey is DGGBJTDKKGLQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-9-2-4-10(5-3-9)13-12(15)14(17-8-16-13)18-11-6-7-11/h2-5,8,11H,6-7,15H2,1H3,(H,16,17,18).
What are the key properties of 4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine?
4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-(4-methylphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 66799509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).