(6S)-2-amino-6-[1-(2,3-dihydrothiophene-2-carbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one

C16H24N4O2S — CID 67578345

IUPAC(6S)-2-amino-6-[1-(2,3-dihydrothiophene-2-carbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(C(=O)C3CC=CS3)C2)N=C1N
InChIInChI=1S/C16H24N4O2S/c1-16(9-13(21)19(2)15(17)18-16)11-5-3-7-20(10-11)14(22)12-6-4-8-23-12/h4,8,11-12H,3,5-7,9-10H2,1-2H3,(H2,17,18)/t11?,12?,16-/m0/s1
InChIKeyCBDHBYOFIWKZGT-PPUFBPAQSA-N
MW336.46 g/mol
LogP1.18
Rot. Bonds2

About (6S)-2-amino-6-[1-(2,3-dihydrothiophene-2-carbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-[1-(2,3-dihydrothiophene-2-carbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 67578345) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is (6S)-2-amino-6-[1-(2,3-dihydrothiophene-2-carbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[1-(2,3-dihydrothiophene-2-carbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID67578345
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name(6S)-2-amino-6-[1-(2,3-dihydrothiophene-2-carbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(C(=O)C3CC=CS3)C2)N=C1N
InChIInChI=1S/C16H24N4O2S/c1-16(9-13(21)19(2)15(17)18-16)11-5-3-7-20(10-11)14(22)12-6-4-8-23-12/h4,8,11-12H,3,5-7,9-10H2,1-2H3,(H2,17,18)/t11?,12?,16-/m0/s1
InChIKeyCBDHBYOFIWKZGT-PPUFBPAQSA-N
XLogP1.18
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[1-(2,3-dihydrothiophene-2-carbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[1-(2,3-dihydrothiophene-2-carbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 67578345) is (6S)-2-amino-6-[1-(2,3-dihydrothiophene-2-carbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[1-(2,3-dihydrothiophene-2-carbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[1-(2,3-dihydrothiophene-2-carbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(C2CCCN(C(=O)C3CC=CS3)C2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[1-(2,3-dihydrothiophene-2-carbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is CBDHBYOFIWKZGT-PPUFBPAQSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-16(9-13(21)19(2)15(17)18-16)11-5-3-7-20(10-11)14(22)12-6-4-8-23-12/h4,8,11-12H,3,5-7,9-10H2,1-2H3,(H2,17,18)/t11?,12?,16-/m0/s1.
What are the key properties of (6S)-2-amino-6-[1-(2,3-dihydrothiophene-2-carbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[1-(2,3-dihydrothiophene-2-carbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 336.46 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[1-(2,3-dihydrothiophene-2-carbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 67578345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).