N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide

C7H9N3O3 — CID 141080911

IUPACN-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
SMILESCn1cncc(C(=O)NCO)c1=O
InChIInChI=1S/C7H9N3O3/c1-10-3-8-2-5(7(10)13)6(12)9-4-11/h2-3,11H,4H2,1H3,(H,9,12)
InChIKeyYEXZQWHFVJRDBT-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.54
Rot. Bonds2

About N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide

N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide (PubChem CID 141080911) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
PubChem CID141080911
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
SMILESCn1cncc(C(=O)NCO)c1=O
InChIInChI=1S/C7H9N3O3/c1-10-3-8-2-5(7(10)13)6(12)9-4-11/h2-3,11H,4H2,1H3,(H,9,12)
InChIKeyYEXZQWHFVJRDBT-UHFFFAOYSA-N
XLogP-1.54
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,4-Dihydro-4-oxo-5-pyrimidinecarboxamide
CID 817685
1-Methyl-6-oxopyrimidine-5-carboxamide
CID 141080907
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
N,1-dimethyl-6-oxopyrimidine-5-carboxamide
CID 141080909
N-(methoxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080912
1-Ethyl-6-oxopyrimidine-5-carboxamide
CID 155723614
5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 82651173
5-(Aminomethyl)-3-methylpyrimidin-4-one
CID 83872299
3-Methyl-5-(methylaminomethyl)pyrimidin-4-one
CID 83872657
N,N-diethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110855207
N-butyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110855763
1-Ethyl-4-oxopyrimidine-5-carboxamide
CID 124909066

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide?
The IUPAC name of N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide (CID 141080911) is N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide.
What is the SMILES notation for N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide?
The canonical SMILES for N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide is Cn1cncc(C(=O)NCO)c1=O.
What is the InChIKey of N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide?
The InChIKey is YEXZQWHFVJRDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-10-3-8-2-5(7(10)13)6(12)9-4-11/h2-3,11H,4H2,1H3,(H,9,12).
What are the key properties of N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide?
N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-1-methyl-6-oxopyrimidine-5-carboxamide is sourced from PubChem (CID 141080911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).