6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid

C10H13N3O4 — CID 99869074

IUPAC6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(NC[C@@H]2CCCO2)[nH]c1=O
InChIInChI=1S/C10H13N3O4/c14-8-7(9(15)16)5-12-10(13-8)11-4-6-2-1-3-17-6/h5-6H,1-4H2,(H,15,16)(H2,11,12,13,14)/t6-/m0/s1
InChIKeyJMUDWCOICSMOQO-LURJTMIESA-N
MW239.23 g/mol
LogP0.06
Rot. Bonds4

About 6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid

6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid (PubChem CID 99869074) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid
PubChem CID99869074
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(NC[C@@H]2CCCO2)[nH]c1=O
InChIInChI=1S/C10H13N3O4/c14-8-7(9(15)16)5-12-10(13-8)11-4-6-2-1-3-17-6/h5-6H,1-4H2,(H,15,16)(H2,11,12,13,14)/t6-/m0/s1
InChIKeyJMUDWCOICSMOQO-LURJTMIESA-N
XLogP0.06
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]-1H-pyrimidine-5-carboxylic acid
CID 3062708
4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61339890
5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 166243247
3-chloro-2-(oxolan-2-ylmethylamino)pyridine-4-carboxylic acid
CID 107061826
9-methyl-2-(oxolan-2-ylmethylamino)-1H-purin-6-one
CID 137288300
4-(4-methoxyphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]pyrimidine-5-carboxylic acid
CID 99738834
5-bromo-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956018
5-(oxolan-2-ylmethylamino)-1-phenylpyrazole-4-carboxylic acid
CID 141299942
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
3-methylsulfanyl-6-(oxolan-2-ylmethylamino)pyridazine-4-carboxylic acid
CID 117102980
N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510
2-amino-4-(oxolan-2-ylmethylamino)benzoic acid
CID 104500178

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid (CID 99869074) is 6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid is O=C(O)c1cnc(NC[C@@H]2CCCO2)[nH]c1=O.
What is the InChIKey of 6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid?
The InChIKey is JMUDWCOICSMOQO-LURJTMIESA-N. The full InChI is InChI=1S/C10H13N3O4/c14-8-7(9(15)16)5-12-10(13-8)11-4-6-2-1-3-17-6/h5-6H,1-4H2,(H,15,16)(H2,11,12,13,14)/t6-/m0/s1.
What are the key properties of 6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid?
6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 99869074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).