N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]butanamide

C20H17Cl2N3O — CID 46267587

IUPACN-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17Cl2N3O/c1-2-3-19(26)25-20-23-17(13-4-8-15(21)9-5-13)12-18(24-20)14-6-10-16(22)11-7-14/h4-12H,2-3H2,1H3,(H,23,24,25,26)
InChIKeySVMHJHSIEBZEGQ-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.86
Rot. Bonds5

About N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]butanamide

N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]butanamide (PubChem CID 46267587) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]butanamide.

Molecular Properties

Compound NameN-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]butanamide
PubChem CID46267587
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC NameN-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H17Cl2N3O/c1-2-3-19(26)25-20-23-17(13-4-8-15(21)9-5-13)12-18(24-20)14-6-10-16(22)11-7-14/h4-12H,2-3H2,1H3,(H,23,24,25,26)
InChIKeySVMHJHSIEBZEGQ-UHFFFAOYSA-N
XLogP5.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
Luf-5735
CID 11392960
4-Chloro-2,6-diphenylpyrimidine
CID 582041
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
Pentanoic acid (4,6-diphenylpyrimidin-2-yl)amide
CID 11450364
2,4-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670267
N-(4,6-diphenylpyrimidin-2-yl)-3-chlorobenzamide
CID 11234532
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
5-{4-[(4-Chlorobenzyl)amino]phenyl}-6-ethylpyrimidine-2,4-diamine
CID 11221946
N-(4,6-diphenylpyrimidin-2-yl)propionamide
CID 11278089
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]butanamide?
The IUPAC name of N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]butanamide (CID 46267587) is N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]butanamide.
What is the SMILES notation for N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]butanamide?
The canonical SMILES for N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]butanamide is CCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]butanamide?
The InChIKey is SVMHJHSIEBZEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c1-2-3-19(26)25-20-23-17(13-4-8-15(21)9-5-13)12-18(24-20)14-6-10-16(22)11-7-14/h4-12H,2-3H2,1H3,(H,23,24,25,26).
What are the key properties of N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]butanamide?
N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]butanamide has a molecular weight of 386.28 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]butanamide is sourced from PubChem (CID 46267587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).