3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid

C12H17N3O3S — CID 62676218

IUPAC3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
SMILESCSc1nc(C)nc(C)c1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C12H17N3O3S/c1-6(12(17)18)5-13-10(16)9-7(2)14-8(3)15-11(9)19-4/h6H,5H2,1-4H3,(H,13,16)(H,17,18)
InChIKeyMWRBAENZBSVUTJ-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.27
Rot. Bonds5

About 3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid

3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62676218) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62676218
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
SMILESCSc1nc(C)nc(C)c1C(=O)NCC(C)C(=O)O
InChIInChI=1S/C12H17N3O3S/c1-6(12(17)18)5-13-10(16)9-7(2)14-8(3)15-11(9)19-4/h6H,5H2,1-4H3,(H,13,16)(H,17,18)
InChIKeyMWRBAENZBSVUTJ-UHFFFAOYSA-N
XLogP1.27
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 65037508
4-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-3-methoxybutanoic acid
CID 103152929
(2R)-4-amino-2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-4-oxobutanoic acid
CID 107821364
N-(5-hydroxy-2,2-dimethylpentyl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 103899620
2-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylbutanoic acid
CID 79793636
N-(1-hydroxy-2-methylpropan-2-yl)-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 43500630
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62675345
2,4-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-methylsulfanylpyrimidine-5-carboxamide
CID 61022737
2,4-dimethyl-6-methylsulfanyl-N-(1H-pyrazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 61284718
methyl 2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 112725166
N-(3-hydroxy-2-methylpropyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 65037506
2-methyl-5-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]pentanoic acid
CID 104682064

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid (CID 62676218) is 3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid is CSc1nc(C)nc(C)c1C(=O)NCC(C)C(=O)O.
What is the InChIKey of 3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is MWRBAENZBSVUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-6(12(17)18)5-13-10(16)9-7(2)14-8(3)15-11(9)19-4/h6H,5H2,1-4H3,(H,13,16)(H,17,18).
What are the key properties of 3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid?
3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 283.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethyl-6-methylsulfanylpyrimidine-5-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62676218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).