3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid

C10H15N3O3 — CID 136958673

IUPAC3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCc1nc(NC(C(=O)O)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-5(2)9(10(15)16)13-7-4-8(14)12-6(3)11-7/h4-5,9H,1-3H3,(H,15,16)(H2,11,12,13,14)
InChIKeyMFUZOXKLSDGGKO-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.60
Rot. Bonds4

About 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid

3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (PubChem CID 136958673) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
PubChem CID136958673
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCc1nc(NC(C(=O)O)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C10H15N3O3/c1-5(2)9(10(15)16)13-7-4-8(14)12-6(3)11-7/h4-5,9H,1-3H3,(H,15,16)(H2,11,12,13,14)
InChIKeyMFUZOXKLSDGGKO-UHFFFAOYSA-N
XLogP0.60
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid with MolForge

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Related Compounds

(2S)-2-amino-3-methylbutanoic acid;4-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136448645
(2S)-3-methyl-2-{[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]amino}butanoic acid
CID 121511427
(2S)-3-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanoic acid
CID 122049585
(2R)-3-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]butanoic acid
CID 122050914
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-methyl-1H-pyrimidin-6-one
CID 136949429
methyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
CID 136956433
methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136956436
4-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136956929
2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958335
3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958404
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958405
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958406

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (CID 136958673) is 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is Cc1nc(NC(C(=O)O)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The InChIKey is MFUZOXKLSDGGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5(2)9(10(15)16)13-7-4-8(14)12-6(3)11-7/h4-5,9H,1-3H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 136958673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).