N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide

C17H19N3O2 — CID 122263851

IUPACN-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCc1cc(C2CC2)ncn1
InChIInChI=1S/C17H19N3O2/c1-12-4-2-3-5-16(12)22-10-17(21)18-9-14-8-15(13-6-7-13)20-11-19-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,18,21)
InChIKeyFPDZGAFBSWRMSC-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.36
Rot. Bonds6

About N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide

N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide (PubChem CID 122263851) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide
PubChem CID122263851
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCc1cc(C2CC2)ncn1
InChIInChI=1S/C17H19N3O2/c1-12-4-2-3-5-16(12)22-10-17(21)18-9-14-8-15(13-6-7-13)20-11-19-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,18,21)
InChIKeyFPDZGAFBSWRMSC-UHFFFAOYSA-N
XLogP2.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-naphthalen-1-yloxyacetamide
CID 122263826
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 122263792
1-[(6-cyclopropylpyrimidin-4-yl)methyl]-3-(2-ethylphenyl)urea
CID 122264075
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102199
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 52907058
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 46778184
4-tert-butyl-N-[(6-cyclopropylpyrimidin-4-yl)methyl]benzamide
CID 122263921
2-(2-methylphenoxy)-N-(quinolin-3-ylmethyl)acetamide
CID 110733809
2-(2-fluorophenoxy)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261805
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(6-cyclopropylpyrimidin-4-yl)methyl]acetamide
CID 122263862
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 122262877
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90490226

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide (CID 122263851) is N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCc1cc(C2CC2)ncn1.
What is the InChIKey of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is FPDZGAFBSWRMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-4-2-3-5-16(12)22-10-17(21)18-9-14-8-15(13-6-7-13)20-11-19-14/h2-5,8,11,13H,6-7,9-10H2,1H3,(H,18,21).
What are the key properties of N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide?
N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 297.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 122263851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).