2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid

C11H14N4O2 — CID 107543089

IUPAC2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid
SMILESCCC(C)(Nc1nc(C)cc(C#N)n1)C(=O)O
InChIInChI=1S/C11H14N4O2/c1-4-11(3,9(16)17)15-10-13-7(2)5-8(6-12)14-10/h5H,4H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyJWAKLKPVPDNHID-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.32
Rot. Bonds4

About 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid

2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid (PubChem CID 107543089) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid
PubChem CID107543089
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid
SMILESCCC(C)(Nc1nc(C)cc(C#N)n1)C(=O)O
InChIInChI=1S/C11H14N4O2/c1-4-11(3,9(16)17)15-10-13-7(2)5-8(6-12)14-10/h5H,4H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyJWAKLKPVPDNHID-UHFFFAOYSA-N
XLogP1.32
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-(2-methylbutan-2-ylamino)pyrimidine-4-carbonitrile
CID 107543261
2-[3-(hydroxymethyl)pentan-3-ylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552017
2-[(6-cyano-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79798018
3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2,2-dimethylpropanamide
CID 106277189
1-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107543146
3-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]benzoic acid
CID 107542874
3-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methoxypropanoic acid
CID 106108557
(2R)-2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-4-methylpentanoic acid
CID 122049258
5-[[(4-cyano-6-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 107543116
2-(hexylamino)-6-methylpyrimidine-4-carbonitrile
CID 107544597
2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 107545107
2-(3-hydroxypentylamino)-6-methylpyrimidine-4-carbonitrile
CID 107545273

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid (CID 107543089) is 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid is CCC(C)(Nc1nc(C)cc(C#N)n1)C(=O)O.
What is the InChIKey of 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid?
The InChIKey is JWAKLKPVPDNHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-4-11(3,9(16)17)15-10-13-7(2)5-8(6-12)14-10/h5H,4H2,1-3H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid?
2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid has a molecular weight of 234.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-6-methylpyrimidin-2-yl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 107543089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).