4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one

C11H18N4O — CID 135953081

IUPAC4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one
SMILESC[C@@H]1C[C@H](C)CN(c2nc(N)cc(=O)[nH]2)C1
InChIInChI=1S/C11H18N4O/c1-7-3-8(2)6-15(5-7)11-13-9(12)4-10(16)14-11/h4,7-8H,3,5-6H2,1-2H3,(H3,12,13,14,16)/t7-,8+
InChIKeyFHEWWKOORYLFNJ-OCAPTIKFSA-N
MW222.29 g/mol
LogP0.83
Rot. Bonds1

About 4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one

4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 135953081) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID135953081
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one
SMILESC[C@@H]1C[C@H](C)CN(c2nc(N)cc(=O)[nH]2)C1
InChIInChI=1S/C11H18N4O/c1-7-3-8(2)6-15(5-7)11-13-9(12)4-10(16)14-11/h4,7-8H,3,5-6H2,1-2H3,(H3,12,13,14,16)/t7-,8+
InChIKeyFHEWWKOORYLFNJ-OCAPTIKFSA-N
XLogP0.83
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one (CID 135953081) is 4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one is C[C@@H]1C[C@H](C)CN(c2nc(N)cc(=O)[nH]2)C1.
What is the InChIKey of 4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is FHEWWKOORYLFNJ-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-3-8(2)6-15(5-7)11-13-9(12)4-10(16)14-11/h4,7-8H,3,5-6H2,1-2H3,(H3,12,13,14,16)/t7-,8+.
What are the key properties of 4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one?
4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135953081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).