2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide

C13H13ClN4O — CID 55109869

IUPAC2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide
SMILESCNC(=O)c1cc(NCc2ccncn2)ccc1Cl
InChIInChI=1S/C13H13ClN4O/c1-15-13(19)11-6-9(2-3-12(11)14)17-7-10-4-5-16-8-18-10/h2-6,8,17H,7H2,1H3,(H,15,19)
InChIKeyGJJFZHCAHKOMBA-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.10
Rot. Bonds4

About 2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide

2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide (PubChem CID 55109869) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide
PubChem CID55109869
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide
SMILESCNC(=O)c1cc(NCc2ccncn2)ccc1Cl
InChIInChI=1S/C13H13ClN4O/c1-15-13(19)11-6-9(2-3-12(11)14)17-7-10-4-5-16-8-18-10/h2-6,8,17H,7H2,1H3,(H,15,19)
InChIKeyGJJFZHCAHKOMBA-UHFFFAOYSA-N
XLogP2.10
TPSA66.91 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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
CID 54864534
2-chloro-N-methyl-5-(1H-pyrazol-5-ylmethylamino)benzamide
CID 54865163
2-chloro-5-[(6-methoxy-2-pyridinyl)methylamino]-N-methylbenzamide
CID 103347678
2-chloro-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 54865176
2-methyl-5-(pyrimidin-4-ylmethylamino)phenol
CID 107699875
2-chloro-5-[(2,4-dimethylphenyl)methylamino]-N-methylbenzamide
CID 60936552
2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide
CID 64593149
4-(pyrimidin-4-ylmethylamino)benzoic acid
CID 55210671
N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide
CID 62760777
2-chloro-5-[(2-chloro-6-fluorophenyl)methylamino]-N-methylbenzamide
CID 60934687
2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 62134778
4-chloro-3-(pyrimidin-4-ylmethylamino)benzamide
CID 62760610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide?
The IUPAC name of 2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide (CID 55109869) is 2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide is CNC(=O)c1cc(NCc2ccncn2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide?
The InChIKey is GJJFZHCAHKOMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-15-13(19)11-6-9(2-3-12(11)14)17-7-10-4-5-16-8-18-10/h2-6,8,17H,7H2,1H3,(H,15,19).
What are the key properties of 2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide?
2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide has a molecular weight of 276.73 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide is sourced from PubChem (CID 55109869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).