N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide

C21H22N4O2 — CID 53201962

IUPACN-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide
SMILESCc1cccc(Nc2nc(C)cc(=O)n2CC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C21H22N4O2/c1-15-8-7-9-17(12-15)23-21-22-16(2)13-19(26)25(21)14-20(27)24(3)18-10-5-4-6-11-18/h4-13H,14H2,1-3H3,(H,22,23)
InChIKeyIFGWIFRAVIECCF-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.27
Rot. Bonds5

About N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide

N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide (PubChem CID 53201962) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide
PubChem CID53201962
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide
SMILESCc1cccc(Nc2nc(C)cc(=O)n2CC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C21H22N4O2/c1-15-8-7-9-17(12-15)23-21-22-16(2)13-19(26)25(21)14-20(27)24(3)18-10-5-4-6-11-18/h4-13H,14H2,1-3H3,(H,22,23)
InChIKeyIFGWIFRAVIECCF-UHFFFAOYSA-N
XLogP3.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201916
N-ethyl-2-[2-(4-fluoroanilino)-4-methyl-6-oxopyrimidin-1-yl]-N-phenylacetamide
CID 53201963
N-(2-chloro-4-fluorophenyl)-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]acetamide
CID 53201917
N-(3-bromophenyl)-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51364728
N-[4-(dimethylamino)phenyl]-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51364699
N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334890
N-(4-bromophenyl)-2-[2-(3,5-dimethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 50928548
N-(3-chlorophenyl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201894
N-(1,3-benzodioxol-5-yl)-2-[2-(3-ethylanilino)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 53201891
6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100104
N-ethyl-6-methyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334901
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methyl-N-phenylacetamide
CID 162689286

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide (CID 53201962) is N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide is Cc1cccc(Nc2nc(C)cc(=O)n2CC(=O)N(C)c2ccccc2)c1.
What is the InChIKey of N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide?
The InChIKey is IFGWIFRAVIECCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-8-7-9-17(12-15)23-21-22-16(2)13-19(26)25(21)14-20(27)24(3)18-10-5-4-6-11-18/h4-13H,14H2,1-3H3,(H,22,23).
What are the key properties of N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide?
N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide has a molecular weight of 362.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-methyl-2-(3-methylanilino)-6-oxopyrimidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 53201962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).