6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine

C15H19N5 — CID 115264124

IUPAC6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccccc1N(C)c1cc(NC2CNC2)ncn1
InChIInChI=1S/C15H19N5/c1-11-5-3-4-6-13(11)20(2)15-7-14(17-10-18-15)19-12-8-16-9-12/h3-7,10,12,16H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyDWRBWOMDYLKOPX-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.94
Rot. Bonds4

About 6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine

6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine (PubChem CID 115264124) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
PubChem CID115264124
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
SMILESCc1ccccc1N(C)c1cc(NC2CNC2)ncn1
InChIInChI=1S/C15H19N5/c1-11-5-3-4-6-13(11)20(2)15-7-14(17-10-18-15)19-12-8-16-9-12/h3-7,10,12,16H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyDWRBWOMDYLKOPX-UHFFFAOYSA-N
XLogP1.94
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-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 6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine (CID 115264124) is 6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine is Cc1ccccc1N(C)c1cc(NC2CNC2)ncn1.
What is the InChIKey of 6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
The InChIKey is DWRBWOMDYLKOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-11-5-3-4-6-13(11)20(2)15-7-14(17-10-18-15)19-12-8-16-9-12/h3-7,10,12,16H,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine?
6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine has a molecular weight of 269.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(azetidin-3-yl)-4-N-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115264124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).