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

C12H18N4O — CID 136956406

IUPAC4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCN3CCCC23)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O/c1-8-13-11(7-12(17)14-8)15-9-4-6-16-5-2-3-10(9)16/h7,9-10H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyNOMFRZXDXCGZMD-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.73
Rot. Bonds2

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

4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956406) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136956406
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCN3CCCC23)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O/c1-8-13-11(7-12(17)14-8)15-9-4-6-16-5-2-3-10(9)16/h7,9-10H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyNOMFRZXDXCGZMD-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-(dimethylamino)-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 136314512
4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136672452
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-methyl-1H-pyrimidin-6-one
CID 136730854
2-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731503
2-ethyl-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731509
2-methyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780968
2-ethyl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780975
2-propan-2-yl-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780979
2-ethyl-4-[ethyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780982
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136780983
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136780987
2-ethyl-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780990

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methyl-1H-pyrimidin-6-one (CID 136956406) is 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC2CCN3CCCC23)cc(=O)[nH]1.
What is the InChIKey of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is NOMFRZXDXCGZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-13-11(7-12(17)14-8)15-9-4-6-16-5-2-3-10(9)16/h7,9-10H,2-6H2,1H3,(H2,13,14,15,17).
What are the key properties of 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methyl-1H-pyrimidin-6-one?
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 0.73, 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)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).