4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine

C16H18N8 — CID 19153617

IUPAC4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
SMILESNc1c(N2CCN(c3ccccn3)CC2)ncnc1-n1ccnc1
InChIInChI=1S/C16H18N8/c17-14-15(20-11-21-16(14)24-6-5-18-12-24)23-9-7-22(8-10-23)13-3-1-2-4-19-13/h1-6,11-12H,7-10,17H2
InChIKeySACZHIGMESRYTM-UHFFFAOYSA-N
MW322.38 g/mol
LogP0.97
Rot. Bonds3

About 4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine

4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 19153617) has the molecular formula C16H18N8 and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID19153617
Molecular FormulaC16H18N8
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
SMILESNc1c(N2CCN(c3ccccn3)CC2)ncnc1-n1ccnc1
InChIInChI=1S/C16H18N8/c17-14-15(20-11-21-16(14)24-6-5-18-12-24)23-9-7-22(8-10-23)13-3-1-2-4-19-13/h1-6,11-12H,7-10,17H2
InChIKeySACZHIGMESRYTM-UHFFFAOYSA-N
XLogP0.97
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine 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

6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19137203
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
ethyl 1-(5-amino-6-imidazol-1-ylpyrimidin-4-yl)piperidine-4-carboxylate
CID 19142197
5-bromo-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 66341717
2-(4-imidazol-1-ylpiperidin-1-yl)pyridine
CID 56788029
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
ethyl 4-[[5-amino-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 19146406

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine (CID 19153617) is 4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine is Nc1c(N2CCN(c3ccccn3)CC2)ncnc1-n1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is SACZHIGMESRYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8/c17-14-15(20-11-21-16(14)24-6-5-18-12-24)23-9-7-22(8-10-23)13-3-1-2-4-19-13/h1-6,11-12H,7-10,17H2.
What are the key properties of 4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine?
4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 322.38 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19153617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).