4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C14H16ClN3O2 — CID 2998268

IUPAC4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)C(c2cccc(Cl)c2)NC(=O)N1
InChIInChI=1S/C14H16ClN3O2/c1-8-11(13(19)18(2)3)12(17-14(20)16-8)9-5-4-6-10(15)7-9/h4-7,12H,1-3H3,(H2,16,17,20)
InChIKeyYUMKTFBDKRMSNE-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.06
Rot. Bonds2

About 4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 2998268) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID2998268
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)C(c2cccc(Cl)c2)NC(=O)N1
InChIInChI=1S/C14H16ClN3O2/c1-8-11(13(19)18(2)3)12(17-14(20)16-8)9-5-4-6-10(15)7-9/h4-7,12H,1-3H3,(H2,16,17,20)
InChIKeyYUMKTFBDKRMSNE-UHFFFAOYSA-N
XLogP2.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 592640
3-chloro-N-(1-phenylethylcarbamoyl)benzamide
CID 2893401
4-(2-chlorophenyl)-1,7,7-trimethyl-4,6,7,8-tetrahydro-2,5(1H,3H)-quinazolinedione
CID 4017936
4-(4-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 4123100
4-(2-Fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 2912658
2,5(1H,3H)-Quinazolinedione, 4-(2-chlorophenyl)-4,6,7,8-tetrahydro-
CID 2918494
4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3000077
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-phenylpropyl)propanamide
CID 4878036
3-chloro-N-(3-(((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl)amino)-3-oxopropyl)benzamide
CID 8057047
4-(2-chlorophenyl)-7,7-dimethyl-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
CID 3897146
4-(4-chlorophenyl)-1,7,7-trimethyl-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
CID 4228739
4-(4-chlorophenyl)-1-ethyl-4,6,7,8-tetrahydroquinazoline-2,5(1H,3H)-dione
CID 4537231

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 2998268) is 4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)N(C)C)C(c2cccc(Cl)c2)NC(=O)N1.
What is the InChIKey of 4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is YUMKTFBDKRMSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-8-11(13(19)18(2)3)12(17-14(20)16-8)9-5-4-6-10(15)7-9/h4-7,12H,1-3H3,(H2,16,17,20).
What are the key properties of 4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 293.75 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 2998268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).