2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide

C17H20N4O2 — CID 90544157

IUPAC2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
SMILESCc1cccc(CC(=O)Nc2cc(N3CCOCC3)ncn2)c1
InChIInChI=1S/C17H20N4O2/c1-13-3-2-4-14(9-13)10-17(22)20-15-11-16(19-12-18-15)21-5-7-23-8-6-21/h2-4,9,11-12H,5-8,10H2,1H3,(H,18,19,20,22)
InChIKeyPHLXZEWUBRLUND-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.80
Rot. Bonds4

About 2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide

2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide (PubChem CID 90544157) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
PubChem CID90544157
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
SMILESCc1cccc(CC(=O)Nc2cc(N3CCOCC3)ncn2)c1
InChIInChI=1S/C17H20N4O2/c1-13-3-2-4-14(9-13)10-17(22)20-15-11-16(19-12-18-15)21-5-7-23-8-6-21/h2-4,9,11-12H,5-8,10H2,1H3,(H,18,19,20,22)
InChIKeyPHLXZEWUBRLUND-UHFFFAOYSA-N
XLogP1.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544202
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-2-(3-methylphenyl)acetamide
CID 90545602
2-(4-methoxyphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544086
N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide
CID 90544169
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544318
2-(2-chlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 71794834
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 122356836
2-(3-methylphenyl)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7593368
N-(6-morpholin-4-ylpyrimidin-4-yl)-2-pyrrol-1-ylacetamide
CID 71794861
2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048
2-(4-methylbenzoyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544115
1-(6-morpholin-4-ylpyrimidin-4-yl)-3-naphthalen-1-ylurea
CID 701189

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide (CID 90544157) is 2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide is Cc1cccc(CC(=O)Nc2cc(N3CCOCC3)ncn2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide?
The InChIKey is PHLXZEWUBRLUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-13-3-2-4-14(9-13)10-17(22)20-15-11-16(19-12-18-15)21-5-7-23-8-6-21/h2-4,9,11-12H,5-8,10H2,1H3,(H,18,19,20,22).
What are the key properties of 2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide?
2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 90544157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).