[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone

C20H26N4O — CID 109264337

IUPAC[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCc1cccc(C)c1Nc1ncc(C(=O)N2CCCC(C)C2)cn1
InChIInChI=1S/C20H26N4O/c1-4-16-9-5-8-15(3)18(16)23-20-21-11-17(12-22-20)19(25)24-10-6-7-14(2)13-24/h5,8-9,11-12,14H,4,6-7,10,13H2,1-3H3,(H,21,22,23)
InChIKeyPJPZUGQFHDJQPY-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.96
Rot. Bonds4

About [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone

[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109264337) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109264337
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCc1cccc(C)c1Nc1ncc(C(=O)N2CCCC(C)C2)cn1
InChIInChI=1S/C20H26N4O/c1-4-16-9-5-8-15(3)18(16)23-20-21-11-17(12-22-20)19(25)24-10-6-7-14(2)13-24/h5,8-9,11-12,14H,4,6-7,10,13H2,1-3H3,(H,21,22,23)
InChIKeyPJPZUGQFHDJQPY-UHFFFAOYSA-N
XLogP3.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-diethylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264341
[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249998
[2-(2-ethoxyanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264362
[2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264391
[2-(4-chloroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46226043
[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
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
[2-(2-methoxyethylamino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109251557
[2-(2,6-dimethylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261125
2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265294
N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109046805

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone (CID 109264337) is [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone is CCc1cccc(C)c1Nc1ncc(C(=O)N2CCCC(C)C2)cn1.
What is the InChIKey of [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is PJPZUGQFHDJQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-16-9-5-8-15(3)18(16)23-20-21-11-17(12-22-20)19(25)24-10-6-7-14(2)13-24/h5,8-9,11-12,14H,4,6-7,10,13H2,1-3H3,(H,21,22,23).
What are the key properties of [2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone?
[2-(2-ethyl-6-methylanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 338.46 g/mol, XLogP of 3.96, 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]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109264337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).