6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid

C16H17N3O5 — CID 3062708

IUPAC6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccccc2OCC2CCCO2)[nH]c1=O
InChIInChI=1S/C16H17N3O5/c20-14-11(15(21)22)8-17-16(19-14)18-12-5-1-2-6-13(12)24-9-10-4-3-7-23-10/h1-2,5-6,8,10H,3-4,7,9H2,(H,21,22)(H2,17,18,19,20)
InChIKeyGGFPKAQLLGYKKC-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.77
Rot. Bonds6

About 6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid

6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid (PubChem CID 3062708) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is 6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid
PubChem CID3062708
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Name6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccccc2OCC2CCCO2)[nH]c1=O
InChIInChI=1S/C16H17N3O5/c20-14-11(15(21)22)8-17-16(19-14)18-12-5-1-2-6-13(12)24-9-10-4-3-7-23-10/h1-2,5-6,8,10H,3-4,7,9H2,(H,21,22)(H2,17,18,19,20)
InChIKeyGGFPKAQLLGYKKC-UHFFFAOYSA-N
XLogP1.77
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid
CID 99869074
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
N-benzyl-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829468
4-[2-(oxolan-2-ylmethoxy)anilino]butan-1-ol
CID 54803377
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
N-methyl-2-[2-(oxolan-2-ylmethoxy)anilino]-N-phenylacetamide
CID 54829826
N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 125163740
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813459

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid (CID 3062708) is 6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid is O=C(O)c1cnc(Nc2ccccc2OCC2CCCO2)[nH]c1=O.
What is the InChIKey of 6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid?
The InChIKey is GGFPKAQLLGYKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c20-14-11(15(21)22)8-17-16(19-14)18-12-5-1-2-6-13(12)24-9-10-4-3-7-23-10/h1-2,5-6,8,10H,3-4,7,9H2,(H,21,22)(H2,17,18,19,20).
What are the key properties of 6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid?
6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid has a molecular weight of 331.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 3062708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).