1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea

C11H18N4O3 — CID 136592867

IUPAC1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea
SMILESCCNC(=O)Nc1nc(C)c(CCOC)c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c1-4-12-11(17)15-10-13-7(2)8(5-6-18-3)9(16)14-10/h4-6H2,1-3H3,(H3,12,13,14,15,16,17)
InChIKeySKGCXFTURJFIDE-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.41
Rot. Bonds5

About 1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea

1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea (PubChem CID 136592867) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea
PubChem CID136592867
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea
SMILESCCNC(=O)Nc1nc(C)c(CCOC)c(=O)[nH]1
InChIInChI=1S/C11H18N4O3/c1-4-12-11(17)15-10-13-7(2)8(5-6-18-3)9(16)14-10/h4-6H2,1-3H3,(H3,12,13,14,15,16,17)
InChIKeySKGCXFTURJFIDE-UHFFFAOYSA-N
XLogP0.41
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-(2-methoxyethyl)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxamide
CID 136665900
3-Ethyl-5-(2-hydroxyethyl)-6-methyl-2-(methylamino)pyrimidin-4-one
CID 19100868
5-(2-Hydroxyethyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one
CID 19100898
5-(2-Hydroxyethyl)-3,6-dimethyl-2-(propylamino)pyrimidin-4-one
CID 19100903
2-(2-Ethoxyethylamino)-5-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one
CID 20061459
2-(2-ethoxyethylamino)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135621415
5-(2-hydroxyethyl)-4-methyl-2-(methylamino)-1H-pyrimidin-6-one
CID 135736974
5-(2-hydroxyethyl)-4-methyl-2-(propylamino)-1H-pyrimidin-6-one
CID 135736975
2-Amino-5-(2-methoxyethyl)-6-methylpyrimidine-4-ol
CID 135977872
2-[2-(cyanatomethylcarbamoylamino)-4-methyl-6-oxo-1H-pyrimidin-5-yl]ethyl N-(isocyanatomethyl)carbamate
CID 136072814
2-[2-(6-cyanatohexylcarbamoylamino)-4-methyl-6-oxo-1H-pyrimidin-5-yl]ethyl N-(6-isocyanatohexyl)carbamate
CID 136072818
2-[2-(4-isocyanatobutylcarbamoylamino)-4-methyl-6-oxo-1H-pyrimidin-5-yl]ethyl N-(6-isocyanatohexyl)carbamate
CID 136084536

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea (CID 136592867) is 1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea is CCNC(=O)Nc1nc(C)c(CCOC)c(=O)[nH]1.
What is the InChIKey of 1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea?
The InChIKey is SKGCXFTURJFIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-12-11(17)15-10-13-7(2)8(5-6-18-3)9(16)14-10/h4-6H2,1-3H3,(H3,12,13,14,15,16,17).
What are the key properties of 1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea?
1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea has a molecular weight of 254.29 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(2-methoxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]urea is sourced from PubChem (CID 136592867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).