[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone

C18H22N4O2 — CID 109365583

IUPAC[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nc(Nc2cccc(C)c2C)cc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C18H22N4O2/c1-12-5-4-6-15(13(12)2)21-17-11-16(19-14(3)20-17)18(23)22-7-9-24-10-8-22/h4-6,11H,7-10H2,1-3H3,(H,19,20,21)
InChIKeyUMJFDCOJDRXNNK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.62
Rot. Bonds3

About [6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone

[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 109365583) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
PubChem CID109365583
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1nc(Nc2cccc(C)c2C)cc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C18H22N4O2/c1-12-5-4-6-15(13(12)2)21-17-11-16(19-14(3)20-17)18(23)22-7-9-24-10-8-22/h4-6,11H,7-10H2,1-3H3,(H,19,20,21)
InChIKeyUMJFDCOJDRXNNK-UHFFFAOYSA-N
XLogP2.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]methanone
CID 112847774
[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109367363
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637
[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853499
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365603
N-(2,3-dimethylphenyl)-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096051
4-[6-(3-chloro-2-methylanilino)-2-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109367651
[6-(tert-butylamino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365559
[6-(2,3-dimethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109345153
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109365384
[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365604
6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360277

Frequently Asked Questions

What is the IUPAC name of [6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone (CID 109365583) is [6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is Cc1nc(Nc2cccc(C)c2C)cc(C(=O)N2CCOCC2)n1.
What is the InChIKey of [6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is UMJFDCOJDRXNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-5-4-6-15(13(12)2)21-17-11-16(19-14(3)20-17)18(23)22-7-9-24-10-8-22/h4-6,11H,7-10H2,1-3H3,(H,19,20,21).
What are the key properties of [6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone?
[6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-dimethylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109365583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).