5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine

C12H19ClN4 — CID 80764211

IUPAC5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(N2CCCCC2)n1
InChIInChI=1S/C12H19ClN4/c1-2-6-14-12-15-9-10(13)11(16-12)17-7-4-3-5-8-17/h9H,2-8H2,1H3,(H,14,15,16)
InChIKeyLUVYGBHUQORAPU-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.94
Rot. Bonds4

About 5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine

5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine (PubChem CID 80764211) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
PubChem CID80764211
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(N2CCCCC2)n1
InChIInChI=1S/C12H19ClN4/c1-2-6-14-12-15-9-10(13)11(16-12)17-7-4-3-5-8-17/h9H,2-8H2,1H3,(H,14,15,16)
InChIKeyLUVYGBHUQORAPU-UHFFFAOYSA-N
XLogP2.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-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

5-chloro-4-(4-propan-2-ylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80823869
5-methyl-4-piperidin-1-yl-N-propylpyrimidin-2-amine
CID 80764571
4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine
CID 80764338
4-(azocan-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80764245
5-chloro-4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80782441
5-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80848714
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80779212
5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine
CID 80764655
5-chloro-4-(3-methylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80797839
5-chloro-4-(2-ethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 104692996
5-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 103542000
5-chloro-N-propyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-2-amine
CID 102746619

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine (CID 80764211) is 5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine is CCCNc1ncc(Cl)c(N2CCCCC2)n1.
What is the InChIKey of 5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine?
The InChIKey is LUVYGBHUQORAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-2-6-14-12-15-9-10(13)11(16-12)17-7-4-3-5-8-17/h9H,2-8H2,1H3,(H,14,15,16).
What are the key properties of 5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine?
5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine has a molecular weight of 254.76 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-piperidin-1-yl-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80764211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).