N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-methylpropanamide

C17H18ClN3O2 — CID 884438

IUPACN-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-methylpropanamide
SMILESCC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1NC(=O)C(C)C
InChIInChI=1S/C17H18ClN3O2/c1-9(2)17(23)21-16-14(11(4)22)10(3)19-15(20-16)12-5-7-13(18)8-6-12/h5-9H,1-4H3,(H,19,20,21,23)
InChIKeySBNLTIUOWACTET-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.90
Rot. Bonds4

About N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-methylpropanamide

N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-methylpropanamide (PubChem CID 884438) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-methylpropanamide
PubChem CID884438
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-methylpropanamide
SMILESCC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1NC(=O)C(C)C
InChIInChI=1S/C17H18ClN3O2/c1-9(2)17(23)21-16-14(11(4)22)10(3)19-15(20-16)12-5-7-13(18)8-6-12/h5-9H,1-4H3,(H,19,20,21,23)
InChIKeySBNLTIUOWACTET-UHFFFAOYSA-N
XLogP3.90
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-methylpropanamide (CID 884438) is N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-methylpropanamide is CC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1NC(=O)C(C)C.
What is the InChIKey of N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-methylpropanamide?
The InChIKey is SBNLTIUOWACTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-9(2)17(23)21-16-14(11(4)22)10(3)19-15(20-16)12-5-7-13(18)8-6-12/h5-9H,1-4H3,(H,19,20,21,23).
What are the key properties of N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-methylpropanamide?
N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-methylpropanamide has a molecular weight of 331.80 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 884438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).