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

C17H18N4O5 — CID 121025425

IUPACN-(4-carbamoylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2c[nH]c(=O)n(CC3CCCO3)c2=O)cc1
InChIInChI=1S/C17H18N4O5/c18-14(22)10-3-5-11(6-4-10)20-15(23)13-8-19-17(25)21(16(13)24)9-12-2-1-7-26-12/h3-6,8,12H,1-2,7,9H2,(H2,18,22)(H,19,25)(H,20,23)
InChIKeyJECVAXNUJOIAHI-UHFFFAOYSA-N
MW358.35 g/mol
LogP0.07
Rot. Bonds5

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

N-(4-carbamoylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 121025425) has the molecular formula C17H18N4O5 and a molecular weight of 358.35 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID121025425
Molecular FormulaC17H18N4O5
Molecular Weight358.35 g/mol
Exact Mass358.13
IUPAC NameN-(4-carbamoylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2c[nH]c(=O)n(CC3CCCO3)c2=O)cc1
InChIInChI=1S/C17H18N4O5/c18-14(22)10-3-5-11(6-4-10)20-15(23)13-8-19-17(25)21(16(13)24)9-12-2-1-7-26-12/h3-6,8,12H,1-2,7,9H2,(H2,18,22)(H,19,25)(H,20,23)
InChIKeyJECVAXNUJOIAHI-UHFFFAOYSA-N
XLogP0.07
TPSA136.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025406
N-(2,5-dimethylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025463
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-methoxy-5-methylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025467
N-(5-chloro-2-methoxyphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025488
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-[(1-benzylpiperidin-4-yl)methyl]-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121025569
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718
N-(4-carbamoylphenyl)-5-methyl-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 51699550
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91822604

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 121025425) is N-(4-carbamoylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide is NC(=O)c1ccc(NC(=O)c2c[nH]c(=O)n(CC3CCCO3)c2=O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is JECVAXNUJOIAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O5/c18-14(22)10-3-5-11(6-4-10)20-15(23)13-8-19-17(25)21(16(13)24)9-12-2-1-7-26-12/h3-6,8,12H,1-2,7,9H2,(H2,18,22)(H,19,25)(H,20,23).
What are the key properties of N-(4-carbamoylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
N-(4-carbamoylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2,4-dioxo-3-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).