2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylic acid

C6H11N2O2+ — CID 58318538

IUPAC2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylic acid
SMILESCC1=NCCC(C(=O)O)[NH2+]1
InChIInChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/p+1
InChIKeyWQXNXVUDBPYKBA-UHFFFAOYSA-O
MW143.17 g/mol
LogP-1.17
Rot. Bonds1

About 2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylic acid

2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylic acid (PubChem CID 58318538) has the molecular formula C6H11N2O2+ and a molecular weight of 143.17 g/mol. Its IUPAC name is 2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylic acid
PubChem CID58318538
Molecular FormulaC6H11N2O2+
Molecular Weight143.17 g/mol
Exact Mass143.08
IUPAC Name2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylic acid
SMILESCC1=NCCC(C(=O)O)[NH2+]1
InChIInChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/p+1
InChIKeyWQXNXVUDBPYKBA-UHFFFAOYSA-O
XLogP-1.17
TPSA66.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylic acid?
The IUPAC name of 2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylic acid (CID 58318538) is 2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylic acid.
What is the SMILES notation for 2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylic acid?
The canonical SMILES for 2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylic acid is CC1=NCCC(C(=O)O)[NH2+]1.
What is the InChIKey of 2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylic acid?
The InChIKey is WQXNXVUDBPYKBA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)/p+1.
What are the key properties of 2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylic acid?
2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylic acid has a molecular weight of 143.17 g/mol, XLogP of -1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylic acid is sourced from PubChem (CID 58318538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).