4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one

C12H18N4O — CID 136956466

IUPAC4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NC2CCN3CCCCC23)nc[nH]1
InChIInChI=1S/C12H18N4O/c17-12-7-11(13-8-14-12)15-9-4-6-16-5-2-1-3-10(9)16/h7-10H,1-6H2,(H2,13,14,15,17)
InChIKeyGKYWPJFQCQQJMS-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.81
Rot. Bonds2

About 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one

4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956466) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one
PubChem CID136956466
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NC2CCN3CCCCC23)nc[nH]1
InChIInChI=1S/C12H18N4O/c17-12-7-11(13-8-14-12)15-9-4-6-16-5-2-1-3-10(9)16/h7-10H,1-6H2,(H2,13,14,15,17)
InChIKeyGKYWPJFQCQQJMS-UHFFFAOYSA-N
XLogP0.81
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-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-(Hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-pyrimidin-4-ol
CID 102537721
2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one
CID 124490786
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1H-pyrimidin-6-one
CID 124746012
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-amino-1H-pyrimidin-6-one
CID 136687962
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-1H-pyrimidin-6-one
CID 136687966
4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731508
4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780972
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780986
4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780994
4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781013
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805291
4-[ethyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805308

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one (CID 136956466) is 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one is O=c1cc(NC2CCN3CCCCC23)nc[nH]1.
What is the InChIKey of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one?
The InChIKey is GKYWPJFQCQQJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-12-7-11(13-8-14-12)15-9-4-6-16-5-2-1-3-10(9)16/h7-10H,1-6H2,(H2,13,14,15,17).
What are the key properties of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one?
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).