3,5-dimethyl-2,4-dihydropyrimidine-5-carboxylic acid

C7H12N2O2 — CID 68577258

IUPAC3,5-dimethyl-2,4-dihydropyrimidine-5-carboxylic acid
SMILESCN1CN=CC(C)(C(=O)O)C1
InChIInChI=1S/C7H12N2O2/c1-7(6(10)11)3-8-5-9(2)4-7/h3H,4-5H2,1-2H3,(H,10,11)
InChIKeyNDZMZDCUWIUFIP-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.05
Rot. Bonds1

About 3,5-dimethyl-2,4-dihydropyrimidine-5-carboxylic acid

3,5-dimethyl-2,4-dihydropyrimidine-5-carboxylic acid (PubChem CID 68577258) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3,5-dimethyl-2,4-dihydropyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethyl-2,4-dihydropyrimidine-5-carboxylic acid
PubChem CID68577258
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3,5-dimethyl-2,4-dihydropyrimidine-5-carboxylic acid
SMILESCN1CN=CC(C)(C(=O)O)C1
InChIInChI=1S/C7H12N2O2/c1-7(6(10)11)3-8-5-9(2)4-7/h3H,4-5H2,1-2H3,(H,10,11)
InChIKeyNDZMZDCUWIUFIP-UHFFFAOYSA-N
XLogP0.05
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2,4-dihydropyrimidine-5-carboxylic acid?
The IUPAC name of 3,5-dimethyl-2,4-dihydropyrimidine-5-carboxylic acid (CID 68577258) is 3,5-dimethyl-2,4-dihydropyrimidine-5-carboxylic acid.
What is the SMILES notation for 3,5-dimethyl-2,4-dihydropyrimidine-5-carboxylic acid?
The canonical SMILES for 3,5-dimethyl-2,4-dihydropyrimidine-5-carboxylic acid is CN1CN=CC(C)(C(=O)O)C1.
What is the InChIKey of 3,5-dimethyl-2,4-dihydropyrimidine-5-carboxylic acid?
The InChIKey is NDZMZDCUWIUFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-7(6(10)11)3-8-5-9(2)4-7/h3H,4-5H2,1-2H3,(H,10,11).
What are the key properties of 3,5-dimethyl-2,4-dihydropyrimidine-5-carboxylic acid?
3,5-dimethyl-2,4-dihydropyrimidine-5-carboxylic acid has a molecular weight of 156.18 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2,4-dihydropyrimidine-5-carboxylic acid is sourced from PubChem (CID 68577258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).