2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C7H9N3O3 — CID 144556016

IUPAC2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(CO)[nH]c1=O
InChIInChI=1S/C7H9N3O3/c1-8-6(12)4-2-9-5(3-11)10-7(4)13/h2,11H,3H2,1H3,(H,8,12)(H,9,10,13)
InChIKeyHPYVYJQBYVVQMI-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.38
Rot. Bonds2

About 2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide

2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 144556016) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID144556016
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(CO)[nH]c1=O
InChIInChI=1S/C7H9N3O3/c1-8-6(12)4-2-9-5(3-11)10-7(4)13/h2,11H,3H2,1H3,(H,8,12)(H,9,10,13)
InChIKeyHPYVYJQBYVVQMI-UHFFFAOYSA-N
XLogP-1.38
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carboxylic acid
CID 144556041
2-(hydroxymethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 145549741
N,2-dimethyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 50989028
N-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]formamide
CID 71758624
4-Hydroxy-N,N-bis(2-methoxyethyl)-2-methylpyrimidine-5-carboxamide
CID 72897875
5-(aminomethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 82503148
2-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide
CID 110847830
N-butyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110848284
2-methyl-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110848402
N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110849279
2-(propoxymethyl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206272
N-(2-hydroxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 133639382

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 144556016) is 2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide is CNC(=O)c1cnc(CO)[nH]c1=O.
What is the InChIKey of 2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is HPYVYJQBYVVQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-8-6(12)4-2-9-5(3-11)10-7(4)13/h2,11H,3H2,1H3,(H,8,12)(H,9,10,13).
What are the key properties of 2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 144556016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).