N-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

C8H11N3O4 — CID 60961131

IUPACN-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCN(CCO)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H11N3O4/c1-11(2-3-12)7(14)5-4-6(13)10-8(15)9-5/h4,12H,2-3H2,1H3,(H2,9,10,13,15)
InChIKeyDFUPFEGFSKFKAD-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.87
Rot. Bonds3

About N-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 60961131) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID60961131
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCN(CCO)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H11N3O4/c1-11(2-3-12)7(14)5-4-6(13)10-8(15)9-5/h4,12H,2-3H2,1H3,(H2,9,10,13,15)
InChIKeyDFUPFEGFSKFKAD-UHFFFAOYSA-N
XLogP-1.87
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 60961131) is N-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is CN(CCO)C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is DFUPFEGFSKFKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-11(2-3-12)7(14)5-4-6(13)10-8(15)9-5/h4,12H,2-3H2,1H3,(H2,9,10,13,15).
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 213.19 g/mol, XLogP of -1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 60961131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).