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

C8H11N3O — CID 122263436

IUPACN-[(6-methylpyrimidin-4-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(C)ncn1
InChIInChI=1S/C8H11N3O/c1-6-3-8(11-5-10-6)4-9-7(2)12/h3,5H,4H2,1-2H3,(H,9,12)
InChIKeyBGCJNWJAXXGMFA-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.42
Rot. Bonds2

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

N-[(6-methylpyrimidin-4-yl)methyl]acetamide (PubChem CID 122263436) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is N-[(6-methylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(6-methylpyrimidin-4-yl)methyl]acetamide
PubChem CID122263436
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC NameN-[(6-methylpyrimidin-4-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(C)ncn1
InChIInChI=1S/C8H11N3O/c1-6-3-8(11-5-10-6)4-9-7(2)12/h3,5H,4H2,1-2H3,(H,9,12)
InChIKeyBGCJNWJAXXGMFA-UHFFFAOYSA-N
XLogP0.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263474
N-[(6-methylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122263469
2-(2-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263387
2-methyl-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 70846240
4-methyl-N-[(6-methylpyrimidin-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122263537
(E)-4,4,4-trifluoro-N-[(6-methylpyrimidin-4-yl)methyl]but-2-enamide
CID 167765691
N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939
2,6-dimethoxy-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263254
2-(3-methylphenyl)-N-[(6-methylpyrimidin-4-yl)methyl]acetamide
CID 122263317
N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 122263448
2,4-difluoro-N-[(6-methylpyrimidin-4-yl)methyl]benzamide
CID 122263261
N-[(6-methylpyrimidin-4-yl)methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122263384

Frequently Asked Questions

What is the IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of N-[(6-methylpyrimidin-4-yl)methyl]acetamide (CID 122263436) is N-[(6-methylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(6-methylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for N-[(6-methylpyrimidin-4-yl)methyl]acetamide is CC(=O)NCc1cc(C)ncn1.
What is the InChIKey of N-[(6-methylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is BGCJNWJAXXGMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6-3-8(11-5-10-6)4-9-7(2)12/h3,5H,4H2,1-2H3,(H,9,12).
What are the key properties of N-[(6-methylpyrimidin-4-yl)methyl]acetamide?
N-[(6-methylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 165.20 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 122263436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).