(2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride

C18H25ClN4O2 — CID 137028911

IUPAC(2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H](N)C(C)(C)C)c2)n1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-5-12-10-14(23)22-16(20-12)11-7-6-8-13(9-11)21-17(24)15(19)18(2,3)4;/h6-10,15H,5,19H2,1-4H3,(H,21,24)(H,20,22,23);1H/t15-;/m1./s1
InChIKeyVIEBJKDXFTUPJL-XFULWGLBSA-N
MW364.88 g/mol
LogP2.73
Rot. Bonds4

About (2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride

(2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride (PubChem CID 137028911) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
PubChem CID137028911
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name(2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
SMILESCCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H](N)C(C)(C)C)c2)n1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-5-12-10-14(23)22-16(20-12)11-7-6-8-13(9-11)21-17(24)15(19)18(2,3)4;/h6-10,15H,5,19H2,1-4H3,(H,21,24)(H,20,22,23);1H/t15-;/m1./s1
InChIKeyVIEBJKDXFTUPJL-XFULWGLBSA-N
XLogP2.73
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride with MolForge

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Related Compounds

(2S)-2-amino-N-[2-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)anilino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 137050019
2-chloro-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 146083065
1-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 137094564
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 137028897
N-[(2S)-1-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)anilino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 135994918
4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide
CID 137045988
3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 137028902
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 137094562
5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide
CID 136961162
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 137028921
(E)-3-(4-acetamidophenyl)-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]prop-2-enamide
CID 137315075
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 137028895

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride (CID 137028911) is (2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride is CCc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H](N)C(C)(C)C)c2)n1.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride?
The InChIKey is VIEBJKDXFTUPJL-XFULWGLBSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-5-12-10-14(23)22-16(20-12)11-7-6-8-13(9-11)21-17(24)15(19)18(2,3)4;/h6-10,15H,5,19H2,1-4H3,(H,21,24)(H,20,22,23);1H/t15-;/m1./s1.
What are the key properties of (2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride?
(2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride is sourced from PubChem (CID 137028911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).