2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid

C14H16FN3O2 — CID 141090724

IUPAC2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid
SMILESCC(C)C1N=C(N)NC(c2ccc(F)cc2)=C1C(=O)O
InChIInChI=1S/C14H16FN3O2/c1-7(2)11-10(13(19)20)12(18-14(16)17-11)8-3-5-9(15)6-4-8/h3-7,11H,1-2H3,(H,19,20)(H3,16,17,18)
InChIKeyWIDNGGRLNXDTDS-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.56
Rot. Bonds3

About 2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid

2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid (PubChem CID 141090724) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid
PubChem CID141090724
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid
SMILESCC(C)C1N=C(N)NC(c2ccc(F)cc2)=C1C(=O)O
InChIInChI=1S/C14H16FN3O2/c1-7(2)11-10(13(19)20)12(18-14(16)17-11)8-3-5-9(15)6-4-8/h3-7,11H,1-2H3,(H,19,20)(H3,16,17,18)
InChIKeyWIDNGGRLNXDTDS-UHFFFAOYSA-N
XLogP1.56
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid?
The IUPAC name of 2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid (CID 141090724) is 2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid?
The canonical SMILES for 2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid is CC(C)C1N=C(N)NC(c2ccc(F)cc2)=C1C(=O)O.
What is the InChIKey of 2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid?
The InChIKey is WIDNGGRLNXDTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-7(2)11-10(13(19)20)12(18-14(16)17-11)8-3-5-9(15)6-4-8/h3-7,11H,1-2H3,(H,19,20)(H3,16,17,18).
What are the key properties of 2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid?
2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid has a molecular weight of 277.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylic acid is sourced from PubChem (CID 141090724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).