3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid

C11H14FN3O2 — CID 104605911

IUPAC3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(Nc2ncc(F)cn2)C1
InChIInChI=1S/C11H14FN3O2/c12-8-5-13-11(14-6-8)15-9-3-1-2-7(4-9)10(16)17/h5-7,9H,1-4H2,(H,16,17)(H,13,14,15)
InChIKeyGXKGUVWPHQDNAR-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.67
Rot. Bonds3

About 3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid

3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 104605911) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID104605911
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(Nc2ncc(F)cn2)C1
InChIInChI=1S/C11H14FN3O2/c12-8-5-13-11(14-6-8)15-9-3-1-2-7(4-9)10(16)17/h5-7,9H,1-4H2,(H,16,17)(H,13,14,15)
InChIKeyGXKGUVWPHQDNAR-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 66030583
3-[(5-cyclobutylpyrimidin-2-yl)amino]cyclobutane-1-carboxylic acid
CID 116975340
3-[(5-nitropyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 66031982
3-(pyrazin-2-ylamino)cyclohexane-1-carboxylic acid
CID 63044232
N-(5-fluoropyrimidin-2-yl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 112703192
3-(2-chloro-5-fluoroanilino)cyclohexane-1-carboxylic acid
CID 107527659
3-[(5-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 63042064
3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044539
cis-(1R,3S)-3-[[5-chloro-4-[3-(4-fluoro-2-oxo-1-pyridinyl)phenyl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 172592476
cis-(1S,3R)-3-[(5-bromopyrimidin-2-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 95770562
3-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 65066192
3-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 53436276

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid (CID 104605911) is 3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(Nc2ncc(F)cn2)C1.
What is the InChIKey of 3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is GXKGUVWPHQDNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-8-5-13-11(14-6-8)15-9-3-1-2-7(4-9)10(16)17/h5-7,9H,1-4H2,(H,16,17)(H,13,14,15).
What are the key properties of 3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid?
3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104605911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).