2-methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid

C10H12N6O2 — CID 71273698

IUPAC2-methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid
SMILESCc1nc(-n2cnnn2)ncc1CC(C)C(=O)O
InChIInChI=1S/C10H12N6O2/c1-6(9(17)18)3-8-4-11-10(13-7(8)2)16-5-12-14-15-16/h4-6H,3H2,1-2H3,(H,17,18)
InChIKeySHNYFAXEZDFDMB-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.02
Rot. Bonds4

About 2-methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid

2-methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid (PubChem CID 71273698) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid
PubChem CID71273698
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name2-methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid
SMILESCc1nc(-n2cnnn2)ncc1CC(C)C(=O)O
InChIInChI=1S/C10H12N6O2/c1-6(9(17)18)3-8-4-11-10(13-7(8)2)16-5-12-14-15-16/h4-6H,3H2,1-2H3,(H,17,18)
InChIKeySHNYFAXEZDFDMB-UHFFFAOYSA-N
XLogP0.02
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid (CID 71273698) is 2-methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid is Cc1nc(-n2cnnn2)ncc1CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid?
The InChIKey is SHNYFAXEZDFDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-6(9(17)18)3-8-4-11-10(13-7(8)2)16-5-12-14-15-16/h4-6H,3H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid?
2-methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid has a molecular weight of 248.25 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-methyl-2-(tetrazol-1-yl)pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 71273698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).