N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide

C11H11N5O4 — CID 121167679

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)ncn1
InChIInChI=1S/C11H11N5O4/c1-2-20-8-3-6(13-5-14-8)9(17)15-7-4-12-11(19)16-10(7)18/h3-5H,2H2,1H3,(H,15,17)(H2,12,16,18,19)
InChIKeyBMZPJUBQZPUVLM-UHFFFAOYSA-N
MW277.24 g/mol
LogP-0.50
Rot. Bonds4

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide (PubChem CID 121167679) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide
PubChem CID121167679
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)ncn1
InChIInChI=1S/C11H11N5O4/c1-2-20-8-3-6(13-5-14-8)9(17)15-7-4-12-11(19)16-10(7)18/h3-5H,2H2,1H3,(H,15,17)(H2,12,16,18,19)
InChIKeyBMZPJUBQZPUVLM-UHFFFAOYSA-N
XLogP-0.50
TPSA129.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167671
6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 91816253
6-ethoxy-N-propylpyrimidine-4-carboxamide
CID 121167565
6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 121167635
N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167627
N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide
CID 91816313
N-(1H-benzimidazol-2-yl)-6-ethoxypyrimidine-4-carboxamide
CID 91816283
6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 121167580
ethyl 2-[(6-ethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167557
N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 91816468
6-ethoxy-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide
CID 91816304
N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide
CID 121167615

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide (CID 121167679) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide is CCOc1cc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)ncn1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide?
The InChIKey is BMZPJUBQZPUVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c1-2-20-8-3-6(13-5-14-8)9(17)15-7-4-12-11(19)16-10(7)18/h3-5H,2H2,1H3,(H,15,17)(H2,12,16,18,19).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide has a molecular weight of 277.24 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 121167679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).