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

C12H18N4O — CID 137015539

IUPAC4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NC2CCN3CCCC3C2)nc[nH]1
InChIInChI=1S/C12H18N4O/c17-12-7-11(13-8-14-12)15-9-3-5-16-4-1-2-10(16)6-9/h7-10H,1-6H2,(H2,13,14,15,17)
InChIKeyQWMLFOARYRKYJG-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.81
Rot. Bonds2

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

4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one (PubChem CID 137015539) 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-7-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one
PubChem CID137015539
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NC2CCN3CCCC3C2)nc[nH]1
InChIInChI=1S/C12H18N4O/c17-12-7-11(13-8-14-12)15-9-3-5-16-4-1-2-10(16)6-9/h7-10H,1-6H2,(H2,13,14,15,17)
InChIKeyQWMLFOARYRKYJG-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-7-ylamino)-1H-pyrimidin-6-one with MolForge

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Related Compounds

N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 75365664
4-[(3,5-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956826
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyridine-2,4-diamine
CID 102809339
6-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-7H-purine-2,6-diamine
CID 114785762
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-chloropyrimidine-2,4-diamine
CID 112731021
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-methylpyrimidine-2,4-diamine
CID 113224826
4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 136956275
4-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136956156
5-amino-6-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)pyridine-3-carbonitrile
CID 103468867
4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136957054
4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136958128
4-(piperidin-1-ylamino)-1H-pyrimidin-6-one
CID 136976653

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one (CID 137015539) is 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one is O=c1cc(NC2CCN3CCCC3C2)nc[nH]1.
What is the InChIKey of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1H-pyrimidin-6-one?
The InChIKey is QWMLFOARYRKYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-12-7-11(13-8-14-12)15-9-3-5-16-4-1-2-10(16)6-9/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-7-ylamino)-1H-pyrimidin-6-one?
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-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-7-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137015539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).