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

C13H19BrN4O — CID 136805357

IUPAC5-bromo-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(CC2CCCNC2)C2CC2)c1Br
InChIInChI=1S/C13H19BrN4O/c14-11-12(16-8-17-13(11)19)18(10-3-4-10)7-9-2-1-5-15-6-9/h8-10,15H,1-7H2,(H,16,17,19)
InChIKeyFYHRBODRSLPCHI-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.50
Rot. Bonds4

About 5-bromo-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805357) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 5-bromo-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136805357
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name5-bromo-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(CC2CCCNC2)C2CC2)c1Br
InChIInChI=1S/C13H19BrN4O/c14-11-12(16-8-17-13(11)19)18(10-3-4-10)7-9-2-1-5-15-6-9/h8-10,15H,1-7H2,(H,16,17,19)
InChIKeyFYHRBODRSLPCHI-UHFFFAOYSA-N
XLogP1.50
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-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 5-bromo-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136805357) is 5-bromo-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one is O=c1[nH]cnc(N(CC2CCCNC2)C2CC2)c1Br.
What is the InChIKey of 5-bromo-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is FYHRBODRSLPCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c14-11-12(16-8-17-13(11)19)18(10-3-4-10)7-9-2-1-5-15-6-9/h8-10,15H,1-7H2,(H,16,17,19).
What are the key properties of 5-bromo-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 327.23 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[cyclopropyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).