N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine

C17H20N8 — CID 163346447

IUPACN,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN(C)c1cc(N2CCN(c3ncnc4ncccc34)CC2)ncn1
InChIInChI=1S/C17H20N8/c1-23(2)14-10-15(20-11-19-14)24-6-8-25(9-7-24)17-13-4-3-5-18-16(13)21-12-22-17/h3-5,10-12H,6-9H2,1-2H3
InChIKeyAUHNTHOLOZOWOR-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.21
Rot. Bonds3

About N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine

N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 163346447) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID163346447
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC NameN,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
SMILESCN(C)c1cc(N2CCN(c3ncnc4ncccc34)CC2)ncn1
InChIInChI=1S/C17H20N8/c1-23(2)14-10-15(20-11-19-14)24-6-8-25(9-7-24)17-13-4-3-5-18-16(13)21-12-22-17/h3-5,10-12H,6-9H2,1-2H3
InChIKeyAUHNTHOLOZOWOR-UHFFFAOYSA-N
XLogP1.21
TPSA74.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine 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 N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine (CID 163346447) is N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine is CN(C)c1cc(N2CCN(c3ncnc4ncccc34)CC2)ncn1.
What is the InChIKey of N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is AUHNTHOLOZOWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-23(2)14-10-15(20-11-19-14)24-6-8-25(9-7-24)17-13-4-3-5-18-16(13)21-12-22-17/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine?
N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 336.40 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 163346447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).