6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine

C13H17N7 — CID 19137203

IUPAC6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESNc1ncnc(N2CCN(c3ccccn3)CC2)c1N
InChIInChI=1S/C13H17N7/c14-11-12(15)17-9-18-13(11)20-7-5-19(6-8-20)10-3-1-2-4-16-10/h1-4,9H,5-8,14H2,(H2,15,17,18)
InChIKeyQSEZXIKVRXHEJV-UHFFFAOYSA-N
MW271.33 g/mol
LogP0.36
Rot. Bonds2

About 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine

6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine (PubChem CID 19137203) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
PubChem CID19137203
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESNc1ncnc(N2CCN(c3ccccn3)CC2)c1N
InChIInChI=1S/C13H17N7/c14-11-12(15)17-9-18-13(11)20-7-5-19(6-8-20)10-3-1-2-4-16-10/h1-4,9H,5-8,14H2,(H2,15,17,18)
InChIKeyQSEZXIKVRXHEJV-UHFFFAOYSA-N
XLogP0.36
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19153617
4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152572
4-N-(2-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19145227
4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152632
6-piperidin-1-ylpyrimidine-4,5-diamine
CID 786539
4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19142004
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19137206
2,5-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 80757583
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 66341717
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine (CID 19137203) is 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine is Nc1ncnc(N2CCN(c3ccccn3)CC2)c1N.
What is the InChIKey of 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is QSEZXIKVRXHEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c14-11-12(15)17-9-18-13(11)20-7-5-19(6-8-20)10-3-1-2-4-16-10/h1-4,9H,5-8,14H2,(H2,15,17,18).
What are the key properties of 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine?
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 271.33 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19137203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).