2-[[2-cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid

C19H20FN3O5 — CID 135928934

IUPAC2-[[2-cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)nc(C2CCCCC2)n(-c2cccc(F)c2)c1=O
InChIInChI=1S/C19H20FN3O5/c20-12-7-4-8-13(9-12)23-16(11-5-2-1-3-6-11)22-18(27)15(19(23)28)17(26)21-10-14(24)25/h4,7-9,11,27H,1-3,5-6,10H2,(H,21,26)(H,24,25)
InChIKeyFCPQYTKPKBWJRH-UHFFFAOYSA-N
MW389.38 g/mol
LogP1.94
Rot. Bonds5

About 2-[[2-cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid

2-[[2-cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 135928934) has the molecular formula C19H20FN3O5 and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-[[2-cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
PubChem CID135928934
Molecular FormulaC19H20FN3O5
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name2-[[2-cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)nc(C2CCCCC2)n(-c2cccc(F)c2)c1=O
InChIInChI=1S/C19H20FN3O5/c20-12-7-4-8-13(9-12)23-16(11-5-2-1-3-6-11)22-18(27)15(19(23)28)17(26)21-10-14(24)25/h4,7-9,11,27H,1-3,5-6,10H2,(H,21,26)(H,24,25)
InChIKeyFCPQYTKPKBWJRH-UHFFFAOYSA-N
XLogP1.94
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid (CID 135928934) is 2-[[2-cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)nc(C2CCCCC2)n(-c2cccc(F)c2)c1=O.
What is the InChIKey of 2-[[2-cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is FCPQYTKPKBWJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O5/c20-12-7-4-8-13(9-12)23-16(11-5-2-1-3-6-11)22-18(27)15(19(23)28)17(26)21-10-14(24)25/h4,7-9,11,27H,1-3,5-6,10H2,(H,21,26)(H,24,25).
What are the key properties of 2-[[2-cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid?
2-[[2-cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 389.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-cyclohexyl-1-(3-fluorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 135928934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).