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

C16H25N5O3 — CID 59387575

IUPAC(6S)-2-amino-3,6-dimethyl-6-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(C(=O)C3CCC(=O)N3)C2)N=C1N
InChIInChI=1S/C16H25N5O3/c1-16(8-13(23)20(2)15(17)19-16)10-4-3-7-21(9-10)14(24)11-5-6-12(22)18-11/h10-11H,3-9H2,1-2H3,(H2,17,19)(H,18,22)/t10?,11?,16-/m0/s1
InChIKeyWWPWMLPWHLSBGX-PRDDCLIZSA-N
MW335.41 g/mol
LogP-0.56
Rot. Bonds2

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

(6S)-2-amino-3,6-dimethyl-6-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one (PubChem CID 59387575) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is (6S)-2-amino-3,6-dimethyl-6-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-3,6-dimethyl-6-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one
PubChem CID59387575
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name(6S)-2-amino-3,6-dimethyl-6-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(C(=O)C3CCC(=O)N3)C2)N=C1N
InChIInChI=1S/C16H25N5O3/c1-16(8-13(23)20(2)15(17)19-16)10-4-3-7-21(9-10)14(24)11-5-6-12(22)18-11/h10-11H,3-9H2,1-2H3,(H2,17,19)(H,18,22)/t10?,11?,16-/m0/s1
InChIKeyWWPWMLPWHLSBGX-PRDDCLIZSA-N
XLogP-0.56
TPSA108.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-3,6-dimethyl-6-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-3,6-dimethyl-6-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one (CID 59387575) is (6S)-2-amino-3,6-dimethyl-6-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-3,6-dimethyl-6-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-3,6-dimethyl-6-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(C2CCCN(C(=O)C3CCC(=O)N3)C2)N=C1N.
What is the InChIKey of (6S)-2-amino-3,6-dimethyl-6-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one?
The InChIKey is WWPWMLPWHLSBGX-PRDDCLIZSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-16(8-13(23)20(2)15(17)19-16)10-4-3-7-21(9-10)14(24)11-5-6-12(22)18-11/h10-11H,3-9H2,1-2H3,(H2,17,19)(H,18,22)/t10?,11?,16-/m0/s1.
What are the key properties of (6S)-2-amino-3,6-dimethyl-6-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one?
(6S)-2-amino-3,6-dimethyl-6-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one has a molecular weight of 335.41 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-3,6-dimethyl-6-[1-(5-oxopyrrolidine-2-carbonyl)piperidin-3-yl]-5H-pyrimidin-4-one is sourced from PubChem (CID 59387575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).