(2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid

C12H20N4O2 — CID 135106942

IUPAC(2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid
SMILESCc1cnc(NC(C(=O)O)C(C)C)nc1N(C)C
InChIInChI=1S/C12H20N4O2/c1-7(2)9(11(17)18)14-12-13-6-8(3)10(15-12)16(4)5/h6-7,9H,1-5H3,(H,17,18)(H,13,14,15)
InChIKeyOUFVJJSLHADFBA-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.37
Rot. Bonds5

About (2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid

(2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid (PubChem CID 135106942) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid
PubChem CID135106942
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid
SMILESCc1cnc(NC(C(=O)O)C(C)C)nc1N(C)C
InChIInChI=1S/C12H20N4O2/c1-7(2)9(11(17)18)14-12-13-6-8(3)10(15-12)16(4)5/h6-7,9H,1-5H3,(H,17,18)(H,13,14,15)
InChIKeyOUFVJJSLHADFBA-UHFFFAOYSA-N
XLogP1.37
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 175245235
4-N,4-N,5-trimethyl-2-N-(2-methyl-1-pyridin-2-ylpropyl)pyrimidine-2,4-diamine
CID 50954412
2-N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 95143763
4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine
CID 95120403
4-N,4-N,5-trimethyl-2-N-[(2R)-1-pyridin-3-ylpropan-2-yl]pyrimidine-2,4-diamine
CID 95141969
2-N-[1-(4-ethoxy-3-fluorophenyl)ethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 135104844
(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutanoic acid
CID 122049707
2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80793725
3-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]benzamide
CID 157018298
2-N-[2-(dimethylamino)-3-pyridinyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157018593
4-N,4-N,5-trimethyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 157018110
(2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid
CID 122050790

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid (CID 135106942) is (2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid is Cc1cnc(NC(C(=O)O)C(C)C)nc1N(C)C.
What is the InChIKey of (2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid?
The InChIKey is OUFVJJSLHADFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7(2)9(11(17)18)14-12-13-6-8(3)10(15-12)16(4)5/h6-7,9H,1-5H3,(H,17,18)(H,13,14,15).
What are the key properties of (2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid?
(2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid has a molecular weight of 252.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 135106942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).