2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide

C15H17N3O — CID 122263317

IUPAC2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
SMILESCc1cccc(CC(=O)NCc2cc(C)ncn2)c1
InChIInChI=1S/C15H17N3O/c1-11-4-3-5-13(6-11)8-15(19)16-9-14-7-12(2)17-10-18-14/h3-7,10H,8-9H2,1-2H3,(H,16,19)
InChIKeyWUQKIDJYRSTMEK-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.95
Rot. Bonds4

About 2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide

2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide (PubChem CID 122263317) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
PubChem CID122263317
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
SMILESCc1cccc(CC(=O)NCc2cc(C)ncn2)c1
InChIInChI=1S/C15H17N3O/c1-11-4-3-5-13(6-11)8-15(19)16-9-14-7-12(2)17-10-18-14/h3-7,10H,8-9H2,1-2H3,(H,16,19)
InChIKeyWUQKIDJYRSTMEK-UHFFFAOYSA-N
XLogP1.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263387
2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263254
N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263436
2-(1,2-benzoxazol-3-yl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263355
2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 70846240
2-(3-methylphenyl)-N-(quinolin-4-ylmethyl)acetamide
CID 110734253
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(3-methylphenyl)acetamide
CID 110660404
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(3-methylphenyl)acetamide
CID 122353695
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263
3-[[[2-(3-methylphenyl)acetyl]amino]methyl]benzoic acid
CID 62388861

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide (CID 122263317) is 2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide is Cc1cccc(CC(=O)NCc2cc(C)ncn2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is WUQKIDJYRSTMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-4-3-5-13(6-11)8-15(19)16-9-14-7-12(2)17-10-18-14/h3-7,10H,8-9H2,1-2H3,(H,16,19).
What are the key properties of 2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide?
2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 255.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 122263317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).