(2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide

C10H16N4O — CID 110837827

IUPAC(2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccncn1
InChIInChI=1S/C10H16N4O/c1-3-7(2)9(11)10(15)14-8-4-5-12-6-13-8/h4-7,9H,3,11H2,1-2H3,(H,12,13,14,15)/t7-,9-/m0/s1
InChIKeyNQPKFNZAGRJBOD-CBAPKCEASA-N
MW208.26 g/mol
LogP0.79
Rot. Bonds4

About (2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide

(2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide (PubChem CID 110837827) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide
PubChem CID110837827
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccncn1
InChIInChI=1S/C10H16N4O/c1-3-7(2)9(11)10(15)14-8-4-5-12-6-13-8/h4-7,9H,3,11H2,1-2H3,(H,12,13,14,15)/t7-,9-/m0/s1
InChIKeyNQPKFNZAGRJBOD-CBAPKCEASA-N
XLogP0.79
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide 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

(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096
2-(2-amino-3-methylpentanoyl)-N-pyrimidin-4-ylpyrazolidine-1-carboxamide;hydrochloride
CID 72797409
2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 76892276
(2S,3S)-2-amino-3-methyl-N-(4-methyl-2-pyridinyl)pentanamide
CID 61148599
2-methyl-3-(methylamino)-N-pyrimidin-4-ylpropanamide
CID 83618247
2-amino-3-methyl-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 119832869
(2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide
CID 114074252
(2S)-2-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)pentanamide
CID 63823173
(2S,3S)-2-amino-N-(6-fluoro-2-pyridinyl)-3-methylpentanamide
CID 104893705
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
2-methoxy-N-pyrimidin-4-ylacetamide
CID 110460486

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide (CID 110837827) is (2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1ccncn1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide?
The InChIKey is NQPKFNZAGRJBOD-CBAPKCEASA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-7(2)9(11)10(15)14-8-4-5-12-6-13-8/h4-7,9H,3,11H2,1-2H3,(H,12,13,14,15)/t7-,9-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide?
(2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide has a molecular weight of 208.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-pyrimidin-4-ylpentanamide is sourced from PubChem (CID 110837827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).