2-[[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(3-methylphenyl)acetamide

C19H25N5O — CID 175651362

IUPAC2-[[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)C2CN(c3ncnc(C)c3C)C2)c1
InChIInChI=1S/C19H25N5O/c1-13-6-5-7-16(8-13)22-18(25)11-23(4)17-9-24(10-17)19-14(2)15(3)20-12-21-19/h5-8,12,17H,9-11H2,1-4H3,(H,22,25)
InChIKeyRZIWKIIYTPOBMW-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.16
Rot. Bonds5

About 2-[[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(3-methylphenyl)acetamide

2-[[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(3-methylphenyl)acetamide (PubChem CID 175651362) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(3-methylphenyl)acetamide
PubChem CID175651362
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-[[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN(C)C2CN(c3ncnc(C)c3C)C2)c1
InChIInChI=1S/C19H25N5O/c1-13-6-5-7-16(8-13)22-18(25)11-23(4)17-9-24(10-17)19-14(2)15(3)20-12-21-19/h5-8,12,17H,9-11H2,1-4H3,(H,22,25)
InChIKeyRZIWKIIYTPOBMW-UHFFFAOYSA-N
XLogP2.16
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]acetamide
CID 171999414
2-[acetyl(3-methylbutyl)amino]-N-(3-methylphenyl)acetamide
CID 113166543
2-[[1-(dimethylamino)cyclopentyl]methylamino]-N-(3-methylphenyl)acetamide
CID 78915363
N-(3-methylphenyl)-2-[methyl(quinazolin-4-yl)amino]acetamide
CID 110437347
2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide
CID 79113681
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 66052808
3-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-N-(3-methylphenyl)propanamide
CID 84567301
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
2-[ethylsulfonyl(methyl)amino]-N-(3-methylphenyl)acetamide
CID 99818114
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590
2-(2-cyclopentylethylamino)-N-(3-methylphenyl)acetamide
CID 54932599

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(3-methylphenyl)acetamide (CID 175651362) is 2-[[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN(C)C2CN(c3ncnc(C)c3C)C2)c1.
What is the InChIKey of 2-[[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(3-methylphenyl)acetamide?
The InChIKey is RZIWKIIYTPOBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-6-5-7-16(8-13)22-18(25)11-23(4)17-9-24(10-17)19-14(2)15(3)20-12-21-19/h5-8,12,17H,9-11H2,1-4H3,(H,22,25).
What are the key properties of 2-[[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(3-methylphenyl)acetamide?
2-[[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(3-methylphenyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 175651362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).