3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide

C15H17ClN4O — CID 137334174

IUPAC3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide
SMILESCc1ncc(Cl)c(NCc2cccc(C(=O)N(C)C)c2)n1
InChIInChI=1S/C15H17ClN4O/c1-10-17-9-13(16)14(19-10)18-8-11-5-4-6-12(7-11)15(21)20(2)3/h4-7,9H,8H2,1-3H3,(H,17,18,19)
InChIKeyWZGNGDSGNPVNLW-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.75
Rot. Bonds4

About 3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide

3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide (PubChem CID 137334174) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide
PubChem CID137334174
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide
SMILESCc1ncc(Cl)c(NCc2cccc(C(=O)N(C)C)c2)n1
InChIInChI=1S/C15H17ClN4O/c1-10-17-9-13(16)14(19-10)18-8-11-5-4-6-12(7-11)15(21)20(2)3/h4-7,9H,8H2,1-3H3,(H,17,18,19)
InChIKeyWZGNGDSGNPVNLW-UHFFFAOYSA-N
XLogP2.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46424594
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
3-[[[5-chloro-2-[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]benzamide
CID 90023236
3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 46424487
4-chloro-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738724
4-chloro-3-[(3-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738770
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
5-chloro-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790786
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104756583
3-[[(2-amino-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]methyl]-N,N-dimethylbenzamide;dihydrochloride
CID 154888756
N,N-dimethyl-3-[[[5-(1,2,4-triazol-1-yl)-2-pyridinyl]amino]methyl]benzamide
CID 167755430

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide (CID 137334174) is 3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide is Cc1ncc(Cl)c(NCc2cccc(C(=O)N(C)C)c2)n1.
What is the InChIKey of 3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is WZGNGDSGNPVNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10-17-9-13(16)14(19-10)18-8-11-5-4-6-12(7-11)15(21)20(2)3/h4-7,9H,8H2,1-3H3,(H,17,18,19).
What are the key properties of 3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide?
3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 304.78 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chloro-2-methylpyrimidin-4-yl)amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 137334174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).