4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one

C13H20N4O — CID 136805360

IUPAC4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CC2CCCNC2)C2CC2)nc[nH]1
InChIInChI=1S/C13H20N4O/c18-13-6-12(15-9-16-13)17(11-3-4-11)8-10-2-1-5-14-7-10/h6,9-11,14H,1-5,7-8H2,(H,15,16,18)
InChIKeyXVSYLFVXVAJTJO-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.74
Rot. Bonds4

About 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one

4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805360) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136805360
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CC2CCCNC2)C2CC2)nc[nH]1
InChIInChI=1S/C13H20N4O/c18-13-6-12(15-9-16-13)17(11-3-4-11)8-10-2-1-5-14-7-10/h6,9-11,14H,1-5,7-8H2,(H,15,16,18)
InChIKeyXVSYLFVXVAJTJO-UHFFFAOYSA-N
XLogP0.74
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one 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-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136805360) is 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one is O=c1cc(N(CC2CCCNC2)C2CC2)nc[nH]1.
What is the InChIKey of 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is XVSYLFVXVAJTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-13-6-12(15-9-16-13)17(11-3-4-11)8-10-2-1-5-14-7-10/h6,9-11,14H,1-5,7-8H2,(H,15,16,18).
What are the key properties of 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).