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

C14H15Cl2N3O2 — CID 3000077

IUPAC4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)C(c2ccc(Cl)c(Cl)c2)NC(=O)N1
InChIInChI=1S/C14H15Cl2N3O2/c1-7-11(13(20)19(2)3)12(18-14(21)17-7)8-4-5-9(15)10(16)6-8/h4-6,12H,1-3H3,(H2,17,18,21)
InChIKeySVVYGJDCCJSPPN-UHFFFAOYSA-N
MW328.20 g/mol
LogP2.71
Rot. Bonds2

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

4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 3000077) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID3000077
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)C(c2ccc(Cl)c(Cl)c2)NC(=O)N1
InChIInChI=1S/C14H15Cl2N3O2/c1-7-11(13(20)19(2)3)12(18-14(21)17-7)8-4-5-9(15)10(16)6-8/h4-6,12H,1-3H3,(H2,17,18,21)
InChIKeySVVYGJDCCJSPPN-UHFFFAOYSA-N
XLogP2.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 3000077) is 4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)N(C)C)C(c2ccc(Cl)c(Cl)c2)NC(=O)N1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is SVVYGJDCCJSPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-7-11(13(20)19(2)3)12(18-14(21)17-7)8-4-5-9(15)10(16)6-8/h4-6,12H,1-3H3,(H2,17,18,21).
What are the key properties of 4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 328.20 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N,N,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3000077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).