2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide

C13H13ClN4O — CID 175913254

IUPAC2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide
SMILESCc1ccc(CC(N)=O)cc1Nc1ncc(Cl)cn1
InChIInChI=1S/C13H13ClN4O/c1-8-2-3-9(5-12(15)19)4-11(8)18-13-16-6-10(14)7-17-13/h2-4,6-7H,5H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyBJWPZDBOVFJUNH-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.21
Rot. Bonds4

About 2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide

2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide (PubChem CID 175913254) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide
PubChem CID175913254
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide
SMILESCc1ccc(CC(N)=O)cc1Nc1ncc(Cl)cn1
InChIInChI=1S/C13H13ClN4O/c1-8-2-3-9(5-12(15)19)4-11(8)18-13-16-6-10(14)7-17-13/h2-4,6-7H,5H2,1H3,(H2,15,19)(H,16,17,18)
InChIKeyBJWPZDBOVFJUNH-UHFFFAOYSA-N
XLogP2.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(5-chloro-2-methylanilino)pyrimidine-5-carboxamide
CID 109255301
2-(2,5-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259146
N-butyl-2-(5-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263901
2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268708
ethyl N-[4-[(5-chloropyrimidin-2-yl)amino]-3-fluorophenyl]carbamate
CID 155161968
2-(5-chloro-2-methylanilino)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109269044
2-(2,5-dichloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256195
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260068
2-(2-chloroanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268652
N-[2-[[5-chloro-2-[5-(hydroxymethyl)-2-methylanilino]pyrimidin-4-yl]amino]phenyl]-2-methylprop-2-enamide
CID 118967160
ethyl 4-[[2-(2,5-dimethylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109266662
3-methyl-4-[(5-methylpyrimidin-2-yl)amino]benzamide
CID 153321752

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide?
The IUPAC name of 2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide (CID 175913254) is 2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide.
What is the SMILES notation for 2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide?
The canonical SMILES for 2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide is Cc1ccc(CC(N)=O)cc1Nc1ncc(Cl)cn1.
What is the InChIKey of 2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide?
The InChIKey is BJWPZDBOVFJUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-8-2-3-9(5-12(15)19)4-11(8)18-13-16-6-10(14)7-17-13/h2-4,6-7H,5H2,1H3,(H2,15,19)(H,16,17,18).
What are the key properties of 2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide?
2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide has a molecular weight of 276.73 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-chloropyrimidin-2-yl)amino]-4-methylphenyl]acetamide is sourced from PubChem (CID 175913254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).