3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid

C15H20N6O3 — CID 122091236

IUPAC3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCc1cc(C)nc(-n2nccc2NC(=O)N(C)CC(C)C(=O)O)n1
InChIInChI=1S/C15H20N6O3/c1-9(13(22)23)8-20(4)15(24)19-12-5-6-16-21(12)14-17-10(2)7-11(3)18-14/h5-7,9H,8H2,1-4H3,(H,19,24)(H,22,23)
InChIKeyDPRNZEJLRCMZNB-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.46
Rot. Bonds5

About 3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid

3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 122091236) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID122091236
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCc1cc(C)nc(-n2nccc2NC(=O)N(C)CC(C)C(=O)O)n1
InChIInChI=1S/C15H20N6O3/c1-9(13(22)23)8-20(4)15(24)19-12-5-6-16-21(12)14-17-10(2)7-11(3)18-14/h5-7,9H,8H2,1-4H3,(H,19,24)(H,22,23)
InChIKeyDPRNZEJLRCMZNB-UHFFFAOYSA-N
XLogP1.46
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-tert-butylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122090426
3-[(2-benzyl-5-methylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122075415
3-[[2-[(2-bromophenyl)methyl]pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122090623
2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid
CID 55007522
2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid
CID 55007752
2-methyl-3-[methyl-[[5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]carbamoyl]amino]propanoic acid
CID 122075538
2-methyl-3-[methyl-[[3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122086674
2-methyl-3-[methyl-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]amino]propanoic acid
CID 122091322
3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 55007133
3-[(4-bromo-2-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122091610
2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid
CID 122089410
3-[(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122094838

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid (CID 122091236) is 3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid is Cc1cc(C)nc(-n2nccc2NC(=O)N(C)CC(C)C(=O)O)n1.
What is the InChIKey of 3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is DPRNZEJLRCMZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-9(13(22)23)8-20(4)15(24)19-12-5-6-16-21(12)14-17-10(2)7-11(3)18-14/h5-7,9H,8H2,1-4H3,(H,19,24)(H,22,23).
What are the key properties of 3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid?
3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 332.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122091236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).