4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide

C16H18FN3O3 — CID 110332470

IUPAC4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccc(F)c(C)c2)nc(=O)[nH]1
InChIInChI=1S/C16H18FN3O3/c1-10-8-11(4-5-12(10)17)13-9-14(20-16(22)19-13)15(21)18-6-3-7-23-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyNYBUIFZXHCBJMT-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.65
Rot. Bonds6

About 4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide

4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide (PubChem CID 110332470) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide
PubChem CID110332470
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccc(F)c(C)c2)nc(=O)[nH]1
InChIInChI=1S/C16H18FN3O3/c1-10-8-11(4-5-12(10)17)13-9-14(20-16(22)19-13)15(21)18-6-3-7-23-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyNYBUIFZXHCBJMT-UHFFFAOYSA-N
XLogP1.65
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide (CID 110332470) is 4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide is COCCCNC(=O)c1cc(-c2ccc(F)c(C)c2)nc(=O)[nH]1.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide?
The InChIKey is NYBUIFZXHCBJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-10-8-11(4-5-12(10)17)13-9-14(20-16(22)19-13)15(21)18-6-3-7-23-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide?
4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-N-(3-methoxypropyl)-2-oxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 110332470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).