4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide

C17H21ClN4O — CID 133384313

IUPAC4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)c1cc(Cl)nc(C)n1
InChIInChI=1S/C17H21ClN4O/c1-5-22(16-10-15(18)19-12(2)20-16)11-13-6-8-14(9-7-13)17(23)21(3)4/h6-10H,5,11H2,1-4H3
InChIKeyQZKDVWQSFQKFDD-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.17
Rot. Bonds5

About 4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide

4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide (PubChem CID 133384313) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide
PubChem CID133384313
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)c1cc(Cl)nc(C)n1
InChIInChI=1S/C17H21ClN4O/c1-5-22(16-10-15(18)19-12(2)20-16)11-13-6-8-14(9-7-13)17(23)21(3)4/h6-10H,5,11H2,1-4H3
InChIKeyQZKDVWQSFQKFDD-UHFFFAOYSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide (CID 133384313) is 4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)c1cc(Cl)nc(C)n1.
What is the InChIKey of 4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide?
The InChIKey is QZKDVWQSFQKFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-5-22(16-10-15(18)19-12(2)20-16)11-13-6-8-14(9-7-13)17(23)21(3)4/h6-10H,5,11H2,1-4H3.
What are the key properties of 4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide?
4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide has a molecular weight of 332.84 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloro-2-methylpyrimidin-4-yl)-ethylamino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 133384313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).