1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

C11H14FN3O2 — CID 143149941

IUPAC1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ncc(F)c(NC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C11H14FN3O2/c1-7-13-6-8(12)9(14-7)15-11(10(16)17)4-2-3-5-11/h6H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyBORBFUUKQQKIAJ-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.73
Rot. Bonds3

About 1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 143149941) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID143149941
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCc1ncc(F)c(NC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C11H14FN3O2/c1-7-13-6-8(12)9(14-7)15-11(10(16)17)4-2-3-5-11/h6H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyBORBFUUKQQKIAJ-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

(1S,2R)-2-(2-chloro-5-fluoro-pyrimidin-4-ylamino)cyclopentanecarboxylic acid
CID 57602700
(2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 57602704
ethyl (2R)-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 71137712
trans-ethyl (1S,2S)-2-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylate
CID 71137713
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 89350712
2-[(5-Fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 89369792
3-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-3-(1-methylcyclopentyl)propanoic acid
CID 89401843
2-[[5-Fluoro-2-(iodomethyl)pyrimidin-4-yl]amino]-2-methylpropanoic acid
CID 126690766
3-[(5-Fluoro-2-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 144401663
2-[(5-Fluoro-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 144504550
[2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoyl]oxidanium
CID 147473672
2-[(2-Amino-5-fluoropyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 163689768

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (CID 143149941) is 1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is Cc1ncc(F)c(NC2(C(=O)O)CCCC2)n1.
What is the InChIKey of 1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is BORBFUUKQQKIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-7-13-6-8(12)9(14-7)15-11(10(16)17)4-2-3-5-11/h6H,2-5H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 239.25 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 143149941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).