(2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide

C14H21N5O2S — CID 119888525

IUPAC(2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCc1c(C)nc2cc(=O)[nH]n2c1C
InChIInChI=1S/C14H21N5O2S/c1-8-10(7-16-14(21)11(15)4-5-22-3)9(2)19-12(17-8)6-13(20)18-19/h6,11H,4-5,7,15H2,1-3H3,(H,16,21)(H,18,20)/t11-/m0/s1
InChIKeyKHGLRGVIRVVDKG-NSHDSACASA-N
MW323.42 g/mol
LogP0.34
Rot. Bonds6

About (2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide

(2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide (PubChem CID 119888525) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide
PubChem CID119888525
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name(2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCc1c(C)nc2cc(=O)[nH]n2c1C
InChIInChI=1S/C14H21N5O2S/c1-8-10(7-16-14(21)11(15)4-5-22-3)9(2)19-12(17-8)6-13(20)18-19/h6,11H,4-5,7,15H2,1-3H3,(H,16,21)(H,18,20)/t11-/m0/s1
InChIKeyKHGLRGVIRVVDKG-NSHDSACASA-N
XLogP0.34
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
CID 119888547
2-(cyclopropylmethylamino)-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
CID 119888553
(2R)-2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-methylsulfanylbutanamide
CID 104908294
(2R)-2-amino-4-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butanamide
CID 104908213
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447418
(2R)-2-amino-4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 104908447
(2S)-2-amino-N-[(4-aminophenyl)methyl]-4-methylsulfanylbutanamide
CID 23598003
(2S)-2-amino-4-methylsulfanyl-N-[(2,4,6-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119295088
methyl 2-(4-bromophenyl)-2-[[2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]acetate
CID 56538949
4-[[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]methyl]-N-methylbenzamide
CID 61250668
(2S)-2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-methylsulfanylbutanamide
CID 61156149
(2R)-2-amino-4-methylsulfanyl-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 104908299

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide (CID 119888525) is (2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NCc1c(C)nc2cc(=O)[nH]n2c1C.
What is the InChIKey of (2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide?
The InChIKey is KHGLRGVIRVVDKG-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-8-10(7-16-14(21)11(15)4-5-22-3)9(2)19-12(17-8)6-13(20)18-19/h6,11H,4-5,7,15H2,1-3H3,(H,16,21)(H,18,20)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide?
(2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide has a molecular weight of 323.42 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 119888525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).