[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C20H26N4O — CID 109299311

IUPAC[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCN(c1cccc(C)c1)c1nccc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C20H26N4O/c1-4-24(17-7-5-6-16(3)14-17)20-21-11-8-18(22-20)19(25)23-12-9-15(2)10-13-23/h5-8,11,14-15H,4,9-10,12-13H2,1-3H3
InChIKeyMIVBLKTWCRXKAU-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.82
Rot. Bonds4

About [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109299311) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109299311
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCN(c1cccc(C)c1)c1nccc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C20H26N4O/c1-4-24(17-7-5-6-16(3)14-17)20-21-11-8-18(22-20)19(25)23-12-9-15(2)10-13-23/h5-8,11,14-15H,4,9-10,12-13H2,1-3H3
InChIKeyMIVBLKTWCRXKAU-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302364
2,3-dihydroindol-1-yl-[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]methanone
CID 109314535
[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204542
[2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299212
[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208548
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921
2-(N-ethyl-3-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906468
2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
[4-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205119
N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312422
[4-(N-ethyl-3-methylanilino)-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 42671339
[2-[benzyl(methyl)amino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299151

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 109299311) is [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is CCN(c1cccc(C)c1)c1nccc(C(=O)N2CCC(C)CC2)n1.
What is the InChIKey of [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is MIVBLKTWCRXKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-24(17-7-5-6-16(3)14-17)20-21-11-8-18(22-20)19(25)23-12-9-15(2)10-13-23/h5-8,11,14-15H,4,9-10,12-13H2,1-3H3.
What are the key properties of [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 338.46 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109299311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).