(3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide

C16H24N4O — CID 95550075

IUPAC(3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCN(c2nc(C)cc(C3CCC3)n2)C1
InChIInChI=1S/C16H24N4O/c1-3-17-15(21)13-7-8-20(10-13)16-18-11(2)9-14(19-16)12-5-4-6-12/h9,12-13H,3-8,10H2,1-2H3,(H,17,21)/t13-/m0/s1
InChIKeyVSMDXDILFJVKHB-ZDUSSCGKSA-N
MW288.40 g/mol
LogP2.01
Rot. Bonds4

About (3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide

(3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide (PubChem CID 95550075) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is (3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide
PubChem CID95550075
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name(3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCN(c2nc(C)cc(C3CCC3)n2)C1
InChIInChI=1S/C16H24N4O/c1-3-17-15(21)13-7-8-20(10-13)16-18-11(2)9-14(19-16)12-5-4-6-12/h9,12-13H,3-8,10H2,1-2H3,(H,17,21)/t13-/m0/s1
InChIKeyVSMDXDILFJVKHB-ZDUSSCGKSA-N
XLogP2.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide 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 (3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide (CID 95550075) is (3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide is CCNC(=O)[C@H]1CCN(c2nc(C)cc(C3CCC3)n2)C1.
What is the InChIKey of (3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide?
The InChIKey is VSMDXDILFJVKHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-17-15(21)13-7-8-20(10-13)16-18-11(2)9-14(19-16)12-5-4-6-12/h9,12-13H,3-8,10H2,1-2H3,(H,17,21)/t13-/m0/s1.
What are the key properties of (3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide?
(3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95550075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).