2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid

C10H12N4O3 — CID 20619181

IUPAC2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC2=NCC(O)CN2)c1
InChIInChI=1S/C10H12N4O3/c15-7-4-12-10(13-5-7)14-8-3-6(9(16)17)1-2-11-8/h1-3,7,15H,4-5H2,(H,16,17)(H2,11,12,13,14)
InChIKeyWTRMFAWZTVKQSX-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.49
Rot. Bonds2

About 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid

2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 20619181) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID20619181
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NC2=NCC(O)CN2)c1
InChIInChI=1S/C10H12N4O3/c15-7-4-12-10(13-5-7)14-8-3-6(9(16)17)1-2-11-8/h1-3,7,15H,4-5H2,(H,16,17)(H2,11,12,13,14)
InChIKeyWTRMFAWZTVKQSX-UHFFFAOYSA-N
XLogP-0.49
TPSA106.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

hydron;3-(2-hydroxy-3,5-dimethylphenyl)-3-[[2-[[2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carbonyl]amino]acetyl]amino]propanoic acid;2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid;hydrate;dihydrochloride
CID 158066428
2-hydrazinylpyridine-4-carboxylic acid
CID 26967246
2-(3,4-dichloroanilino)pyridine-4-carboxylic acid
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2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
CID 62815223
2-(oxan-4-ylamino)pyridine-4-carboxylic acid
CID 43610330
2-(naphthalen-2-ylamino)pyridine-4-carboxylic acid
CID 60726061
2-(4-bromo-2,6-dimethylanilino)pyridine-4-carboxylic acid
CID 65498815
2-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carboxylic acid
CID 60716381
2-[4-bromo-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 64855140
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid
CID 107853535
2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617456

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid (CID 20619181) is 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(NC2=NCC(O)CN2)c1.
What is the InChIKey of 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is WTRMFAWZTVKQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c15-7-4-12-10(13-5-7)14-8-3-6(9(16)17)1-2-11-8/h1-3,7,15H,4-5H2,(H,16,17)(H2,11,12,13,14).
What are the key properties of 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid?
2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of -0.49, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 20619181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).