N-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide

C18H20Cl2N4O2 — CID 134125421

IUPACN-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(CCCc2ccc(Cl)cc2Cl)c(NC(C)=O)n1
InChIInChI=1S/C18H20Cl2N4O2/c1-10-15(6-4-5-13-7-8-14(19)9-16(13)20)17(22-11(2)25)24-18(21-10)23-12(3)26/h7-9H,4-6H2,1-3H3,(H2,21,22,23,24,25,26)
InChIKeyBHXBSYDSDDEMQI-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.18
Rot. Bonds6

About N-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide

N-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide (PubChem CID 134125421) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide
PubChem CID134125421
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC NameN-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(CCCc2ccc(Cl)cc2Cl)c(NC(C)=O)n1
InChIInChI=1S/C18H20Cl2N4O2/c1-10-15(6-4-5-13-7-8-14(19)9-16(13)20)17(22-11(2)25)24-18(21-10)23-12(3)26/h7-9H,4-6H2,1-3H3,(H2,21,22,23,24,25,26)
InChIKeyBHXBSYDSDDEMQI-UHFFFAOYSA-N
XLogP4.18
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide 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 N-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide (CID 134125421) is N-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide is CC(=O)Nc1nc(C)c(CCCc2ccc(Cl)cc2Cl)c(NC(C)=O)n1.
What is the InChIKey of N-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide?
The InChIKey is BHXBSYDSDDEMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c1-10-15(6-4-5-13-7-8-14(19)9-16(13)20)17(22-11(2)25)24-18(21-10)23-12(3)26/h7-9H,4-6H2,1-3H3,(H2,21,22,23,24,25,26).
What are the key properties of N-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide?
N-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide has a molecular weight of 395.29 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-5-[3-(2,4-dichlorophenyl)propyl]-6-methylpyrimidin-4-yl]acetamide is sourced from PubChem (CID 134125421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).