2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid

C6H10N2O2 — CID 690

IUPAC2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
SMILESCC1=NCCC(C(=O)O)N1
InChIInChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyWQXNXVUDBPYKBA-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.15
Rot. Bonds1

About 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid

2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid (PubChem CID 690) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
PubChem CID690
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
SMILESCC1=NCCC(C(=O)O)N1
InChIInChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)
InChIKeyWQXNXVUDBPYKBA-UHFFFAOYSA-N
XLogP-0.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
The IUPAC name of 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid (CID 690) is 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
The canonical SMILES for 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid is CC1=NCCC(C(=O)O)N1.
What is the InChIKey of 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
The InChIKey is WQXNXVUDBPYKBA-UHFFFAOYSA-N. 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).
What are the key properties of 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid has a molecular weight of 142.16 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid is sourced from PubChem (CID 690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).