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

C13H20N4O2 — CID 136975006

IUPAC4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCN3CCCCC23)nc[nH]c1=O
InChIInChI=1S/C13H20N4O2/c1-19-11-12(14-8-15-13(11)18)16-9-5-7-17-6-3-2-4-10(9)17/h8-10H,2-7H2,1H3,(H2,14,15,16,18)
InChIKeyYBKSVFZYXCPIQC-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.82
Rot. Bonds3

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

4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136975006) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136975006
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(NC2CCN3CCCCC23)nc[nH]c1=O
InChIInChI=1S/C13H20N4O2/c1-19-11-12(14-8-15-13(11)18)16-9-5-7-17-6-3-2-4-10(9)17/h8-10H,2-7H2,1H3,(H2,14,15,16,18)
InChIKeyYBKSVFZYXCPIQC-UHFFFAOYSA-N
XLogP0.82
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-5-methoxy-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

4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672450
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136687969
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 136687980
5-methoxy-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731507
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289
5-methoxy-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780973
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136780980
5-methoxy-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780988
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136781005
5-methoxy-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781015
5-methoxy-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781025
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805283

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-5-methoxy-1H-pyrimidin-6-one (CID 136975006) is 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-5-methoxy-1H-pyrimidin-6-one is COc1c(NC2CCN3CCCCC23)nc[nH]c1=O.
What is the InChIKey of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is YBKSVFZYXCPIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-11-12(14-8-15-13(11)18)16-9-5-7-17-6-3-2-4-10(9)17/h8-10H,2-7H2,1H3,(H2,14,15,16,18).
What are the key properties of 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-5-methoxy-1H-pyrimidin-6-one?
4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 264.33 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136975006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).