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

C11H16N4O — CID 136956408

IUPAC4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NC2CCN3CCCC23)nc[nH]1
InChIInChI=1S/C11H16N4O/c16-11-6-10(12-7-13-11)14-8-3-5-15-4-1-2-9(8)15/h6-9H,1-5H2,(H2,12,13,14,16)
InChIKeyPPTSFZCPVPOKIG-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.42
Rot. Bonds2

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

4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one (PubChem CID 136956408) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one
PubChem CID136956408
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NC2CCN3CCCC23)nc[nH]1
InChIInChI=1S/C11H16N4O/c16-11-6-10(12-7-13-11)14-8-3-5-15-4-1-2-9(8)15/h6-9H,1-5H2,(H2,12,13,14,16)
InChIKeyPPTSFZCPVPOKIG-UHFFFAOYSA-N
XLogP0.42
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one with MolForge

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Related Compounds

6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136562357
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672455
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-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
CID 136879286
4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
CID 136879295
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-1H-pyrimidin-6-one
CID 136900916
4-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-5-amino-1H-pyrimidin-6-one
CID 136900922
4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956012

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one (CID 136956408) is 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one is O=c1cc(NC2CCN3CCCC23)nc[nH]1.
What is the InChIKey of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one?
The InChIKey is PPTSFZCPVPOKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-11-6-10(12-7-13-11)14-8-3-5-15-4-1-2-9(8)15/h6-9H,1-5H2,(H2,12,13,14,16).
What are the key properties of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one?
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one has a molecular weight of 220.28 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).