4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine

C15H18N4 — CID 112854769

IUPAC4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NC3CC3)ncn2)c(C)c1
InChIInChI=1S/C15H18N4/c1-10-3-6-13(11(2)7-10)19-15-8-14(16-9-17-15)18-12-4-5-12/h3,6-9,12H,4-5H2,1-2H3,(H2,16,17,18,19)
InChIKeySSNTTZGXINJJQL-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.41
Rot. Bonds4

About 4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine (PubChem CID 112854769) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
PubChem CID112854769
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Nc2cc(NC3CC3)ncn2)c(C)c1
InChIInChI=1S/C15H18N4/c1-10-3-6-13(11(2)7-10)19-15-8-14(16-9-17-15)18-12-4-5-12/h3,6-9,12H,4-5H2,1-2H3,(H2,16,17,18,19)
InChIKeySSNTTZGXINJJQL-UHFFFAOYSA-N
XLogP3.41
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclopentyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112909873
4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112910414
6-N-(2-bromo-4-methylphenyl)-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 112862022
4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 112854775
2-N-cyclohexyl-4-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112910587
4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855344
6-N-cyclohexyl-4-N-cyclopropylpyrimidine-4,6-diamine
CID 112854680
6-N-[4-(dimethylamino)phenyl]-4-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine
CID 112865180
4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854964
4-N-cyclopentyl-6-N-(2,4-difluorophenyl)pyrimidine-4,6-diamine
CID 112855977
N-cyclopropyl-4-methylpyridin-2-amine;ethane
CID 170575903
ethyl 2-[[6-(cyclopropylamino)pyrimidin-4-yl]amino]benzoate
CID 112854860

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine (CID 112854769) is 4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine is Cc1ccc(Nc2cc(NC3CC3)ncn2)c(C)c1.
What is the InChIKey of 4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine?
The InChIKey is SSNTTZGXINJJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-3-6-13(11(2)7-10)19-15-8-14(16-9-17-15)18-12-4-5-12/h3,6-9,12H,4-5H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine has a molecular weight of 254.34 g/mol, XLogP of 3.41, 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-N-(2,4-dimethylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112854769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).