N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

C14H23N3O4 — CID 136960099

IUPACN-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCOCCN(CCO)C(=O)c1c(C)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C14H23N3O4/c1-9(2)12-15-10(3)11(13(19)16-12)14(20)17(5-7-18)6-8-21-4/h9,18H,5-8H2,1-4H3,(H,15,16,19)
InChIKeyHZCZBGYRBAZDBU-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.28
Rot. Bonds7

About N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 136960099) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID136960099
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC NameN-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCOCCN(CCO)C(=O)c1c(C)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C14H23N3O4/c1-9(2)12-15-10(3)11(13(19)16-12)14(20)17(5-7-18)6-8-21-4/h9,18H,5-8H2,1-4H3,(H,15,16,19)
InChIKeyHZCZBGYRBAZDBU-UHFFFAOYSA-N
XLogP0.28
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-4-methoxy-N-(2-methoxyethyl)benzamide
CID 113339829
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113339830
N-(2-methoxyethyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136911216
N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
5-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 107372183
6-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 115772722
N-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61447670
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672819
4-hydroxy-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115902414
2,2-difluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 103513987
2-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697449
3,4-dichloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772784

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 136960099) is N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is COCCN(CCO)C(=O)c1c(C)nc(C(C)C)[nH]c1=O.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is HZCZBGYRBAZDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-9(2)12-15-10(3)11(13(19)16-12)14(20)17(5-7-18)6-8-21-4/h9,18H,5-8H2,1-4H3,(H,15,16,19).
What are the key properties of N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 0.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-methoxyethyl)-4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136960099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).