2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide

C14H15ClN4O — CID 123279276

IUPAC2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1N(C)c1nc(C)ncc1Cl
InChIInChI=1S/C14H15ClN4O/c1-9-17-8-11(15)13(18-9)19(3)12-7-5-4-6-10(12)14(20)16-2/h4-8H,1-3H3,(H,16,20)
InChIKeyAPWBEWULEAKFMY-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.57
Rot. Bonds3

About 2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide

2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide (PubChem CID 123279276) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide
PubChem CID123279276
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1N(C)c1nc(C)ncc1Cl
InChIInChI=1S/C14H15ClN4O/c1-9-17-8-11(15)13(18-9)19(3)12-7-5-4-6-10(12)14(20)16-2/h4-8H,1-3H3,(H,16,20)
InChIKeyAPWBEWULEAKFMY-UHFFFAOYSA-N
XLogP2.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide?
The IUPAC name of 2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide (CID 123279276) is 2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide.
What is the SMILES notation for 2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide?
The canonical SMILES for 2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide is CNC(=O)c1ccccc1N(C)c1nc(C)ncc1Cl.
What is the InChIKey of 2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide?
The InChIKey is APWBEWULEAKFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-9-17-8-11(15)13(18-9)19(3)12-7-5-4-6-10(12)14(20)16-2/h4-8H,1-3H3,(H,16,20).
What are the key properties of 2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide?
2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide has a molecular weight of 290.75 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methylpyrimidin-4-yl)-methylamino]-N-methylbenzamide is sourced from PubChem (CID 123279276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).