2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid

C9H12FN3O2 — CID 104605858

IUPAC2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1ncc(F)cn1)C(=O)O
InChIInChI=1S/C9H12FN3O2/c1-2-3-7(8(14)15)13-9-11-4-6(10)5-12-9/h4-5,7H,2-3H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyYVAULFSKRKOBMN-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.28
Rot. Bonds5

About 2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid

2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid (PubChem CID 104605858) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid
PubChem CID104605858
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1ncc(F)cn1)C(=O)O
InChIInChI=1S/C9H12FN3O2/c1-2-3-7(8(14)15)13-9-11-4-6(10)5-12-9/h4-5,7H,2-3H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyYVAULFSKRKOBMN-UHFFFAOYSA-N
XLogP1.28
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid
CID 122060521
2-[(7-fluoro-1,5-naphthyridin-4-yl)amino]pentanoic acid
CID 122060497
5-fluoro-N-hexan-3-ylpyrimidin-2-amine
CID 115750039
methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate
CID 112703180
2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid
CID 112586667
2-[(6,7-difluoroquinoxalin-2-yl)amino]pentanoic acid
CID 122060632
(2S)-2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114037285
2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114036486
(2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol
CID 130680062
(2S)-2-anilinopentanoic acid
CID 22847649
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid
CID 122060559
2-(3-bromo-4-fluoroanilino)pentanoic acid
CID 104777722

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid (CID 104605858) is 2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid is CCCC(Nc1ncc(F)cn1)C(=O)O.
What is the InChIKey of 2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is YVAULFSKRKOBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c1-2-3-7(8(14)15)13-9-11-4-6(10)5-12-9/h4-5,7H,2-3H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid?
2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 213.21 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 104605858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).