2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

C16H20N4 — CID 80957882

IUPAC2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2cccc(C)c2)nc(C2CC2)n1
InChIInChI=1S/C16H20N4/c1-11-5-4-6-13(9-11)20(3)15-10-14(17-2)18-16(19-15)12-7-8-12/h4-6,9-10,12H,7-8H2,1-3H3,(H,17,18,19)
InChIKeyZSDDITOQQAFKFN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.47
Rot. Bonds4

About 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine

2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 80957882) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
PubChem CID80957882
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
SMILESCNc1cc(N(C)c2cccc(C)c2)nc(C2CC2)n1
InChIInChI=1S/C16H20N4/c1-11-5-4-6-13(9-11)20(3)15-10-14(17-2)18-16(19-15)12-7-8-12/h4-6,9-10,12H,7-8H2,1-3H3,(H,17,18,19)
InChIKeyZSDDITOQQAFKFN-UHFFFAOYSA-N
XLogP3.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine (CID 80957882) is 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is CNc1cc(N(C)c2cccc(C)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is ZSDDITOQQAFKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-5-4-6-13(9-11)20(3)15-10-14(17-2)18-16(19-15)12-7-8-12/h4-6,9-10,12H,7-8H2,1-3H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine?
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80957882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).