5-chloro-2-cyclopropyl-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylic acid

C15H13ClFN3O2 — CID 58220690

IUPAC5-chloro-2-cyclopropyl-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(C2CC2)nc(NCc2ccc(F)cc2)c1Cl
InChIInChI=1S/C15H13ClFN3O2/c16-11-12(15(21)22)19-13(9-3-4-9)20-14(11)18-7-8-1-5-10(17)6-2-8/h1-2,5-6,9H,3-4,7H2,(H,21,22)(H,18,19,20)
InChIKeyWSNALVNQUULGKH-UHFFFAOYSA-N
MW321.74 g/mol
LogP3.46
Rot. Bonds5

About 5-chloro-2-cyclopropyl-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylic acid

5-chloro-2-cyclopropyl-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylic acid (PubChem CID 58220690) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is 5-chloro-2-cyclopropyl-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-cyclopropyl-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylic acid
PubChem CID58220690
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC Name5-chloro-2-cyclopropyl-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(C2CC2)nc(NCc2ccc(F)cc2)c1Cl
InChIInChI=1S/C15H13ClFN3O2/c16-11-12(15(21)22)19-13(9-3-4-9)20-14(11)18-7-8-1-5-10(17)6-2-8/h1-2,5-6,9H,3-4,7H2,(H,21,22)(H,18,19,20)
InChIKeyWSNALVNQUULGKH-UHFFFAOYSA-N
XLogP3.46
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclopropyl-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-cyclopropyl-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylic acid (CID 58220690) is 5-chloro-2-cyclopropyl-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-cyclopropyl-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-cyclopropyl-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylic acid is O=C(O)c1nc(C2CC2)nc(NCc2ccc(F)cc2)c1Cl.
What is the InChIKey of 5-chloro-2-cyclopropyl-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylic acid?
The InChIKey is WSNALVNQUULGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c16-11-12(15(21)22)19-13(9-3-4-9)20-14(11)18-7-8-1-5-10(17)6-2-8/h1-2,5-6,9H,3-4,7H2,(H,21,22)(H,18,19,20).
What are the key properties of 5-chloro-2-cyclopropyl-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylic acid?
5-chloro-2-cyclopropyl-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylic acid has a molecular weight of 321.74 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclopropyl-6-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 58220690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).