(2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid

C12H18N4O4 — CID 126425607

IUPAC(2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid
SMILESCC(C)Cc1cc(C(=O)N[C@H](CO)C(=O)O)nc(N)n1
InChIInChI=1S/C12H18N4O4/c1-6(2)3-7-4-8(16-12(13)14-7)10(18)15-9(5-17)11(19)20/h4,6,9,17H,3,5H2,1-2H3,(H,15,18)(H,19,20)(H2,13,14,16)/t9-/m1/s1
InChIKeyFYTOZKPUYLJWKO-SECBINFHSA-N
MW282.30 g/mol
LogP-0.57
Rot. Bonds6

About (2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid

(2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid (PubChem CID 126425607) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid
PubChem CID126425607
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name(2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid
SMILESCC(C)Cc1cc(C(=O)N[C@H](CO)C(=O)O)nc(N)n1
InChIInChI=1S/C12H18N4O4/c1-6(2)3-7-4-8(16-12(13)14-7)10(18)15-9(5-17)11(19)20/h4,6,9,17H,3,5H2,1-2H3,(H,15,18)(H,19,20)(H2,13,14,16)/t9-/m1/s1
InChIKeyFYTOZKPUYLJWKO-SECBINFHSA-N
XLogP-0.57
TPSA138.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid with MolForge

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Related Compounds

2-amino-6-(2-methylpropyl)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 95211892
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 62788085
N-[(7S,8aS)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-yl]-2-amino-6-(2-methylpropyl)pyrimidine-4-carboxamide
CID 56751755
(2R)-2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 79036145
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357745
2-[(5-chloropyrazine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 107371398
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 61153074
(2S)-3-hydroxy-2-(4-methylpentanoylamino)propanoic acid
CID 28778534
(2R)-3-hydroxy-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28790343
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 62828512
2-[(5-fluoropyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104638117
(2S)-4-methyl-2-[(4-methylquinoline-2-carbonyl)amino]pentanoic acid
CID 154750746

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid (CID 126425607) is (2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid is CC(C)Cc1cc(C(=O)N[C@H](CO)C(=O)O)nc(N)n1.
What is the InChIKey of (2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid?
The InChIKey is FYTOZKPUYLJWKO-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-6(2)3-7-4-8(16-12(13)14-7)10(18)15-9(5-17)11(19)20/h4,6,9,17H,3,5H2,1-2H3,(H,15,18)(H,19,20)(H2,13,14,16)/t9-/m1/s1.
What are the key properties of (2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid has a molecular weight of 282.30 g/mol, XLogP of -0.57, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 126425607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).