4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C16H19ClFN3O2 — CID 2938693

IUPAC4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)NC(=O)NC1c1c(F)cccc1Cl
InChIInChI=1S/C16H19ClFN3O2/c1-4-21(5-2)15(22)12-9(3)19-16(23)20-14(12)13-10(17)7-6-8-11(13)18/h6-8,14H,4-5H2,1-3H3,(H2,19,20,23)
InChIKeyMYXQKUQIYAXYPP-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.98
Rot. Bonds4

About 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 2938693) has the molecular formula C16H19ClFN3O2 and a molecular weight of 339.80 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID2938693
Molecular FormulaC16H19ClFN3O2
Molecular Weight339.80 g/mol
Exact Mass339.11
IUPAC Name4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)NC(=O)NC1c1c(F)cccc1Cl
InChIInChI=1S/C16H19ClFN3O2/c1-4-21(5-2)15(22)12-9(3)19-16(23)20-14(12)13-10(17)7-6-8-11(13)18/h6-8,14H,4-5H2,1-3H3,(H2,19,20,23)
InChIKeyMYXQKUQIYAXYPP-UHFFFAOYSA-N
XLogP2.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

(R)-1-(2-chloro-6-fluorobenzyl)-3-(2-amino-2-phenylethyl)-5-(2-fluorophenyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 10345138
4-(2-chlorophenyl)-1,7,7-trimethyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinazolinedione
CID 4017936
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
4-(2-Fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 2912658
3-((R)-2-Amino-2-phenyl-ethyl)-1-(2-chloro-benzyl)-5-(2-fluoro-phenyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 11261693
2,5(1H,3H)-Quinazolinedione, 4-(2-chlorophenyl)-4,6,7,8-tetrahydro-
CID 2918494
US10710967, Example 37
CID 155883261
1-[1-[(2-Chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-cyclohexylurea
CID 1450126
4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2998268
4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3000077
N~4~-(2-chloro-4-fluorobenzyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3242928
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-phenylpropyl)propanamide
CID 4878036

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 2938693) is 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCN(CC)C(=O)C1=C(C)NC(=O)NC1c1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is MYXQKUQIYAXYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3O2/c1-4-21(5-2)15(22)12-9(3)19-16(23)20-14(12)13-10(17)7-6-8-11(13)18/h6-8,14H,4-5H2,1-3H3,(H2,19,20,23).
What are the key properties of 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 339.80 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-N,N-diethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 2938693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).