5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid

C12H17N3O4 — CID 107605563

IUPAC5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid
SMILESCOc1cc(C)nc(NC(=O)CC(C)CC(=O)O)n1
InChIInChI=1S/C12H17N3O4/c1-7(5-11(17)18)4-9(16)14-12-13-8(2)6-10(15-12)19-3/h6-7H,4-5H2,1-3H3,(H,17,18)(H,13,14,15,16)
InChIKeyXQZXZWNBCLRJDD-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.23
Rot. Bonds6

About 5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid

5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 107605563) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID107605563
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid
SMILESCOc1cc(C)nc(NC(=O)CC(C)CC(=O)O)n1
InChIInChI=1S/C12H17N3O4/c1-7(5-11(17)18)4-9(16)14-12-13-8(2)6-10(15-12)19-3/h6-7H,4-5H2,1-3H3,(H,17,18)(H,13,14,15,16)
InChIKeyXQZXZWNBCLRJDD-UHFFFAOYSA-N
XLogP1.23
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid 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

3-amino-4-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107600043
(3S)-3-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylhexanamide
CID 107600110
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5,5-dimethylhexanamide
CID 107600194
3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid
CID 107602108
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685
4-[(4,6-dimethoxypyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107624804
2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide
CID 107600198
1-(4-methoxy-6-methylpyrimidin-2-yl)-3-propan-2-ylthiourea
CID 100775447
2-cyano-N-(4-methoxy-6-methylpyrimidin-2-yl)propanamide
CID 107600321
4-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]-3-methylbutanoic acid
CID 67866584
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 112638162

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid (CID 107605563) is 5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid is COc1cc(C)nc(NC(=O)CC(C)CC(=O)O)n1.
What is the InChIKey of 5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is XQZXZWNBCLRJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7(5-11(17)18)4-9(16)14-12-13-8(2)6-10(15-12)19-3/h6-7H,4-5H2,1-3H3,(H,17,18)(H,13,14,15,16).
What are the key properties of 5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid?
5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 267.28 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 107605563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).