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

C11H17N5O — CID 136975016

IUPAC5-amino-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one
SMILESNc1c(NC2CCN3CCCC23)nc[nH]c1=O
InChIInChI=1S/C11H17N5O/c12-9-10(13-6-14-11(9)17)15-7-3-5-16-4-1-2-8(7)16/h6-8H,1-5,12H2,(H2,13,14,15,17)
InChIKeyAZSRGFGJKADAOD-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.00
Rot. Bonds2

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

5-amino-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one (PubChem CID 136975016) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-amino-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one
PubChem CID136975016
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name5-amino-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one
SMILESNc1c(NC2CCN3CCCC23)nc[nH]c1=O
InChIInChI=1S/C11H17N5O/c12-9-10(13-6-14-11(9)17)15-7-3-5-16-4-1-2-8(7)16/h6-8H,1-5,12H2,(H2,13,14,15,17)
InChIKeyAZSRGFGJKADAOD-UHFFFAOYSA-N
XLogP0.00
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-5-amino-1H-pyrimidin-6-one
CID 136730851
5-amino-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731505
5-amino-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780967
5-amino-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780991
5-amino-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781008
5-amino-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
CID 136879281
5-amino-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
CID 136879290
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-iodo-1H-pyrimidin-6-one
CID 136900921
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-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956405
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956406

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one (CID 136975016) is 5-amino-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one is Nc1c(NC2CCN3CCCC23)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one?
The InChIKey is AZSRGFGJKADAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c12-9-10(13-6-14-11(9)17)15-7-3-5-16-4-1-2-8(7)16/h6-8H,1-5,12H2,(H2,13,14,15,17).
What are the key properties of 5-amino-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one?
5-amino-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136975016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).