2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide

C13H12ClN3O — CID 146281567

IUPAC2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide
SMILESNC(=O)Cc1cnc(Cl)nc1Cc1ccccc1
InChIInChI=1S/C13H12ClN3O/c14-13-16-8-10(7-12(15)18)11(17-13)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,18)
InChIKeyHONBYJWBFVYWNQ-UHFFFAOYSA-N
MW261.71 g/mol
LogP1.75
Rot. Bonds4

About 2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide

2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide (PubChem CID 146281567) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide
PubChem CID146281567
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide
SMILESNC(=O)Cc1cnc(Cl)nc1Cc1ccccc1
InChIInChI=1S/C13H12ClN3O/c14-13-16-8-10(7-12(15)18)11(17-13)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,18)
InChIKeyHONBYJWBFVYWNQ-UHFFFAOYSA-N
XLogP1.75
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-(2-chloro-5-methylpyrimidin-4-yl)ethynyl]phenyl]acetamide
CID 86712623
2-phenylacetamide;pyridine
CID 22283001
1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide
CID 86712295
2-(3,5-dibenzyl-2-hydroxyphenyl)acetamide
CID 163237018
2-chloro-5-fluoro-4-(pyridin-4-ylmethyl)pyrimidine
CID 79079168
N-benzyl-2-chloro-5-ethylpyrimidin-4-amine
CID 122630775
2-chloro-N-phenyl-5-(2-phenylethyl)pyrimidin-4-amine
CID 18186489
2-benzylpyridine-3-carboxamide;dihydrochloride
CID 141007334
5-benzyl-4-chloro-2-methylpyrimidine
CID 117260664
5-benzyl-2-chloropyridin-3-amine
CID 115031060
2,5-dichloro-4-[(2-chlorophenyl)methyl]pyrimidine
CID 158566394
2-[2-(2-amino-2-oxoethyl)phenyl]acetic acid
CID 91115166

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide?
The IUPAC name of 2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide (CID 146281567) is 2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide.
What is the SMILES notation for 2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide?
The canonical SMILES for 2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide is NC(=O)Cc1cnc(Cl)nc1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide?
The InChIKey is HONBYJWBFVYWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-13-16-8-10(7-12(15)18)11(17-13)6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,18).
What are the key properties of 2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide?
2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide has a molecular weight of 261.71 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide is sourced from PubChem (CID 146281567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).