[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone

C19H24N4O — CID 109249998

IUPAC[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCCc1cccc(C)c1Nc1ncc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C19H24N4O/c1-3-15-9-7-8-14(2)17(15)22-19-20-12-16(13-21-19)18(24)23-10-5-4-6-11-23/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,20,21,22)
InChIKeyBUUBNFIHBALITI-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.72
Rot. Bonds4

About [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone

[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone (PubChem CID 109249998) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
PubChem CID109249998
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCCc1cccc(C)c1Nc1ncc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C19H24N4O/c1-3-15-9-7-8-14(2)17(15)22-19-20-12-16(13-21-19)18(24)23-10-5-4-6-11-23/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,20,21,22)
InChIKeyBUUBNFIHBALITI-UHFFFAOYSA-N
XLogP3.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264337
[2-(2-methyl-6-propan-2-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249307
[2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297753
[2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264341
[2-(2,6-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261125
[2-(2,6-diethylanilino)pyrimidin-5-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109261596
2-(azepane-1-carbonyl)-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 109090740
[2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249984
2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265294
N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080597
N-(2,6-diethylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044646
[2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249992

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone (CID 109249998) is [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone is CCc1cccc(C)c1Nc1ncc(C(=O)N2CCCCC2)cn1.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is BUUBNFIHBALITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-15-9-7-8-14(2)17(15)22-19-20-12-16(13-21-19)18(24)23-10-5-4-6-11-23/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,20,21,22).
What are the key properties of [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 324.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109249998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).