4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid

C14H12FN3O2 — CID 107793480

IUPAC4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(Nc2ncnc3c2CCC3)cc1F
InChIInChI=1S/C14H12FN3O2/c15-11-6-8(4-5-9(11)14(19)20)18-13-10-2-1-3-12(10)16-7-17-13/h4-7H,1-3H2,(H,19,20)(H,16,17,18)
InChIKeyUJZAUJPSHOXQEH-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.55
Rot. Bonds3

About 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid

4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid (PubChem CID 107793480) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid
PubChem CID107793480
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(Nc2ncnc3c2CCC3)cc1F
InChIInChI=1S/C14H12FN3O2/c15-11-6-8(4-5-9(11)14(19)20)18-13-10-2-1-3-12(10)16-7-17-13/h4-7H,1-3H2,(H,19,20)(H,16,17,18)
InChIKeyUJZAUJPSHOXQEH-UHFFFAOYSA-N
XLogP2.55
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-(5,6,7,8-tetrahydroquinazolin-4-ylamino)benzoic acid
CID 107793542
2-fluoro-4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]benzoic acid
CID 107793250
4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-fluorobenzoic acid
CID 107793322
2-fluoro-4-(hydroxyamino)benzoic acid
CID 142889242
2-fluoro-4-(1,2,4-thiadiazol-5-ylamino)benzoic acid
CID 107793344
1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propan-1-one
CID 19968928
1-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)phenyl]-2-piperidin-4-ylethanone;dihydrochloride
CID 70282722
4-(4-fluoro-3-methylanilino)pyrimidine-5-carboxylic acid
CID 115148840
6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-carboxylic acid
CID 82414974
4-[(4,6-dimethylpyrimidin-2-yl)amino]-2-fluorobenzoic acid
CID 114002149
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoic acid
CID 62833489
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-phenylprop-2-enamide
CID 71962100

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid?
The IUPAC name of 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid (CID 107793480) is 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid?
The canonical SMILES for 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid is O=C(O)c1ccc(Nc2ncnc3c2CCC3)cc1F.
What is the InChIKey of 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid?
The InChIKey is UJZAUJPSHOXQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-11-6-8(4-5-9(11)14(19)20)18-13-10-2-1-3-12(10)16-7-17-13/h4-7H,1-3H2,(H,19,20)(H,16,17,18).
What are the key properties of 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid?
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid has a molecular weight of 273.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-fluorobenzoic acid is sourced from PubChem (CID 107793480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).