1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid

C11H14FN3O2 — CID 104605880

IUPAC1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ncc(F)cn2)CCCCC1
InChIInChI=1S/C11H14FN3O2/c12-8-6-13-10(14-7-8)15-11(9(16)17)4-2-1-3-5-11/h6-7H,1-5H2,(H,16,17)(H,13,14,15)
InChIKeyKIQOKBJHBWAFOS-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.82
Rot. Bonds3

About 1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid

1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 104605880) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID104605880
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ncc(F)cn2)CCCCC1
InChIInChI=1S/C11H14FN3O2/c12-8-6-13-10(14-7-8)15-11(9(16)17)4-2-1-3-5-11/h6-7H,1-5H2,(H,16,17)(H,13,14,15)
InChIKeyKIQOKBJHBWAFOS-UHFFFAOYSA-N
XLogP1.82
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-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

Related Compounds

N4-(4-carboxycyclohexyl)-2-chloro-5-fluoro-4-pyrimidineamine
CID 22061179
(1R,3S)-3-(2-chloro-5-fluoropyrimidin-4-ylamino)cyclohexanecarboxylic acid
CID 86667448
3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 87339029
(1R)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 88589855
(3S)-3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 88589951
2-[3-[[(2-Chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexyl]acetic acid
CID 91387208
3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-3-cyclobutylpropanoic acid
CID 140255319
1-[(5-Fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 143149941
3-[(5-Fluoro-2-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 144401663
4-Amino-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]octanoic acid
CID 174212123
2-Amino-3-methyl-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]heptanoic acid
CID 174212125
1-(5-Fluoropyrimidin-2-yl)piperidine-2-carboxylic acid
CID 60137811

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid (CID 104605880) is 1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1(Nc2ncc(F)cn2)CCCCC1.
What is the InChIKey of 1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is KIQOKBJHBWAFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-8-6-13-10(14-7-8)15-11(9(16)17)4-2-1-3-5-11/h6-7H,1-5H2,(H,16,17)(H,13,14,15).
What are the key properties of 1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid?
1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104605880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).