4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride

C9H16Cl2N4O — CID 139026488

IUPAC4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.NC1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C9H14N4O.2ClH/c10-7-2-1-3-13(5-7)8-4-9(14)12-6-11-8;;/h4,6-7H,1-3,5,10H2,(H,11,12,14);2*1H
InChIKeyZQCVURMIPZCUHU-UHFFFAOYSA-N
MW267.16 g/mol
LogP0.54
Rot. Bonds1

About 4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride

4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride (PubChem CID 139026488) has the molecular formula C9H16Cl2N4O and a molecular weight of 267.16 g/mol. Its IUPAC name is 4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride
PubChem CID139026488
Molecular FormulaC9H16Cl2N4O
Molecular Weight267.16 g/mol
Exact Mass266.07
IUPAC Name4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.NC1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C9H14N4O.2ClH/c10-7-2-1-3-13(5-7)8-4-9(14)12-6-11-8;;/h4,6-7H,1-3,5,10H2,(H,11,12,14);2*1H
InChIKeyZQCVURMIPZCUHU-UHFFFAOYSA-N
XLogP0.54
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride 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 4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride?
The IUPAC name of 4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride (CID 139026488) is 4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride is Cl.Cl.NC1CCCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride?
The InChIKey is ZQCVURMIPZCUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O.2ClH/c10-7-2-1-3-13(5-7)8-4-9(14)12-6-11-8;;/h4,6-7H,1-3,5,10H2,(H,11,12,14);2*1H.
What are the key properties of 4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride?
4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride has a molecular weight of 267.16 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopiperidin-1-yl)-1H-pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 139026488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).