4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid

C16H16FN3O2 — CID 82169218

IUPAC4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2F)nc1NC1CCCC1
InChIInChI=1S/C16H16FN3O2/c17-13-8-4-3-7-11(13)14-18-9-12(16(21)22)15(20-14)19-10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H,21,22)(H,18,19,20)
InChIKeyFOMOQTXVDOEKFN-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.34
Rot. Bonds4

About 4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid

4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid (PubChem CID 82169218) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid
PubChem CID82169218
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2F)nc1NC1CCCC1
InChIInChI=1S/C16H16FN3O2/c17-13-8-4-3-7-11(13)14-18-9-12(16(21)22)15(20-14)19-10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H,21,22)(H,18,19,20)
InChIKeyFOMOQTXVDOEKFN-UHFFFAOYSA-N
XLogP3.34
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid (CID 82169218) is 4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccccc2F)nc1NC1CCCC1.
What is the InChIKey of 4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid?
The InChIKey is FOMOQTXVDOEKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-13-8-4-3-7-11(13)14-18-9-12(16(21)22)15(20-14)19-10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2,(H,21,22)(H,18,19,20).
What are the key properties of 4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid?
4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid has a molecular weight of 301.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-2-(2-fluorophenyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82169218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).