2-[(3-fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid

C8H10FN3O3 — CID 167968101

IUPAC2-[(3-fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCC(O)CF)n1
InChIInChI=1S/C8H10FN3O3/c9-3-5(13)4-11-8-10-2-1-6(12-8)7(14)15/h1-2,5,13H,3-4H2,(H,14,15)(H,10,11,12)
InChIKeyLGVMQXRFFKFIDX-UHFFFAOYSA-N
MW215.18 g/mol
LogP-0.08
Rot. Bonds5

About 2-[(3-fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid

2-[(3-fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid (PubChem CID 167968101) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 2-[(3-fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid
PubChem CID167968101
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name2-[(3-fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCC(O)CF)n1
InChIInChI=1S/C8H10FN3O3/c9-3-5(13)4-11-8-10-2-1-6(12-8)7(14)15/h1-2,5,13H,3-4H2,(H,14,15)(H,10,11,12)
InChIKeyLGVMQXRFFKFIDX-UHFFFAOYSA-N
XLogP-0.08
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-Pyrimidinecarboxylic acid
CID 169306
2-Hydrazinylpyrimidine-4-carboxylic acid
CID 83672127
2-Methyl-4-pyrimidinecarboxylic acid
CID 18676097
2-Aminopyrimidine-4-carboxylic acid
CID 247194
Ethyl pyrimidine-4-carboxylate
CID 13639438
2-Chloropyrimidine-4-carboxylic acid
CID 22135751
4-Pyrimidinecarboxylic acid, 2-bromo-
CID 72710417
2-(Methylsulfanyl)pyrimidine-4-carboxylic acid
CID 295775
2-(Morpholin-4-yl)pyrimidine-4-carboxylic acid
CID 12570280
Methyl 2-methoxypyrimidine-4-carboxylate
CID 12570284
2-Methoxypyrimidine-4-carboxylic acid
CID 12570285
Methyl 2-fluoropyrimidine-4-carboxylate
CID 19868782

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(3-fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid (CID 167968101) is 2-[(3-fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(3-fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid is O=C(O)c1ccnc(NCC(O)CF)n1.
What is the InChIKey of 2-[(3-fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid?
The InChIKey is LGVMQXRFFKFIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3/c9-3-5(13)4-11-8-10-2-1-6(12-8)7(14)15/h1-2,5,13H,3-4H2,(H,14,15)(H,10,11,12).
What are the key properties of 2-[(3-fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid?
2-[(3-fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid has a molecular weight of 215.18 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-hydroxypropyl)amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 167968101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).