N-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide

C18H21N3O4 — CID 121025463

IUPACN-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c[nH]c(=O)n(CC3CCCO3)c2=O)c1
InChIInChI=1S/C18H21N3O4/c1-11-5-6-12(2)15(8-11)20-16(22)14-9-19-18(24)21(17(14)23)10-13-4-3-7-25-13/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyJWYOUXXZHJGFBP-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.58
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide

N-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 121025463) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID121025463
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2c[nH]c(=O)n(CC3CCCO3)c2=O)c1
InChIInChI=1S/C18H21N3O4/c1-11-5-6-12(2)15(8-11)20-16(22)14-9-19-18(24)21(17(14)23)10-13-4-3-7-25-13/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyJWYOUXXZHJGFBP-UHFFFAOYSA-N
XLogP1.58
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025467
N-(2-fluorophenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025406
N-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025488
N-(4-carbamoylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025425
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025493
N-(2-chloro-4-nitrophenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025570
N-(2-methoxy-5-nitrophenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025490
N-(2,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209144
N-(2,5-dimethylphenyl)-5-methyl-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 51699562
N-[2-[(2,5-dimethylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 4916607
N-[(1-benzylpiperidin-4-yl)methyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025569
N-(2,5-dimethylphenyl)-4-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 71852752

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 121025463) is N-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide is Cc1ccc(C)c(NC(=O)c2c[nH]c(=O)n(CC3CCCO3)c2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is JWYOUXXZHJGFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-5-6-12(2)15(8-11)20-16(22)14-9-19-18(24)21(17(14)23)10-13-4-3-7-25-13/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H,19,24)(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
N-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).