N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide

C15H18N4O — CID 62748907

IUPACN-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide
SMILESCCNC(=O)c1ccc(C)c(NCc2ccncn2)c1
InChIInChI=1S/C15H18N4O/c1-3-17-15(20)12-5-4-11(2)14(8-12)18-9-13-6-7-16-10-19-13/h4-8,10,18H,3,9H2,1-2H3,(H,17,20)
InChIKeyVYEWAUHRGANBOR-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.15
Rot. Bonds5

About N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide

N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide (PubChem CID 62748907) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide
PubChem CID62748907
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide
SMILESCCNC(=O)c1ccc(C)c(NCc2ccncn2)c1
InChIInChI=1S/C15H18N4O/c1-3-17-15(20)12-5-4-11(2)14(8-12)18-9-13-6-7-16-10-19-13/h4-8,10,18H,3,9H2,1-2H3,(H,17,20)
InChIKeyVYEWAUHRGANBOR-UHFFFAOYSA-N
XLogP2.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide?
The IUPAC name of N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide (CID 62748907) is N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide?
The canonical SMILES for N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide is CCNC(=O)c1ccc(C)c(NCc2ccncn2)c1.
What is the InChIKey of N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide?
The InChIKey is VYEWAUHRGANBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-17-15(20)12-5-4-11(2)14(8-12)18-9-13-6-7-16-10-19-13/h4-8,10,18H,3,9H2,1-2H3,(H,17,20).
What are the key properties of N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide?
N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide has a molecular weight of 270.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide is sourced from PubChem (CID 62748907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).