(6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one

C13H22N4O2 — CID 59386992

IUPAC(6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCC(=O)N1CCCC([C@]2(C)CC(=O)N(C)C(N)=N2)C1
InChIInChI=1S/C13H22N4O2/c1-9(18)17-6-4-5-10(8-17)13(2)7-11(19)16(3)12(14)15-13/h10H,4-8H2,1-3H3,(H2,14,15)/t10?,13-/m0/s1
InChIKeyPWSNUTOAAMKHJL-HQVZTVAUSA-N
MW266.34 g/mol
LogP0.18
Rot. Bonds1

About (6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59386992) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59386992
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCC(=O)N1CCCC([C@]2(C)CC(=O)N(C)C(N)=N2)C1
InChIInChI=1S/C13H22N4O2/c1-9(18)17-6-4-5-10(8-17)13(2)7-11(19)16(3)12(14)15-13/h10H,4-8H2,1-3H3,(H2,14,15)/t10?,13-/m0/s1
InChIKeyPWSNUTOAAMKHJL-HQVZTVAUSA-N
XLogP0.18
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one (CID 59386992) is (6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one is CC(=O)N1CCCC([C@]2(C)CC(=O)N(C)C(N)=N2)C1.
What is the InChIKey of (6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is PWSNUTOAAMKHJL-HQVZTVAUSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(18)17-6-4-5-10(8-17)13(2)7-11(19)16(3)12(14)15-13/h10H,4-8H2,1-3H3,(H2,14,15)/t10?,13-/m0/s1.
What are the key properties of (6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 266.34 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59386992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).