2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one

C12H18N4O — CID 136976656

IUPAC2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NN2CCCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H18N4O/c17-11-8-10(13-12(14-11)9-4-5-9)15-16-6-2-1-3-7-16/h8-9H,1-7H2,(H2,13,14,15,17)
InChIKeyCXEOWLPSKFNIFA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.46
Rot. Bonds3

About 2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one

2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one (PubChem CID 136976656) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one
PubChem CID136976656
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NN2CCCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C12H18N4O/c17-11-8-10(13-12(14-11)9-4-5-9)15-16-6-2-1-3-7-16/h8-9H,1-7H2,(H2,13,14,15,17)
InChIKeyCXEOWLPSKFNIFA-UHFFFAOYSA-N
XLogP1.46
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-(piperidin-1-ylamino)-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

Related Compounds

2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one
CID 136976670
4-[2-(azepan-1-yl)ethylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974636
4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973649
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
6-chloro-2-cyclopropyl-N-piperidin-1-ylpyrimidin-4-amine
CID 82994870
4-(piperidin-1-ylamino)-1H-pyrimidin-6-one
CID 136976653
2-cyclopropyl-4-(2-hydroxyethylamino)-1H-pyrimidin-6-one
CID 136973817
1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958612
2-cyclopropyl-4-(2-methylbut-3-yn-2-ylamino)-1H-pyrimidin-6-one
CID 136975839
2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137258814
2-cyclopropyl-4-(1-cyclopropylethylamino)-1H-pyrimidin-6-one
CID 136973985
2-cyclopropyl-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976032

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one (CID 136976656) is 2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one is O=c1cc(NN2CCCCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one?
The InChIKey is CXEOWLPSKFNIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-11-8-10(13-12(14-11)9-4-5-9)15-16-6-2-1-3-7-16/h8-9H,1-7H2,(H2,13,14,15,17).
What are the key properties of 2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(piperidin-1-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136976656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).