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

C18H22N4O — CID 109299212

IUPAC[2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(Nc2nccc(C(=O)N3CCC(C)CC3)n2)c1
InChIInChI=1S/C18H22N4O/c1-13-7-10-22(11-8-13)17(23)16-6-9-19-18(21-16)20-15-5-3-4-14(2)12-15/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyRAHBBBUXJAYGCX-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.40
Rot. Bonds3

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

[2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109299212) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109299212
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cccc(Nc2nccc(C(=O)N3CCC(C)CC3)n2)c1
InChIInChI=1S/C18H22N4O/c1-13-7-10-22(11-8-13)17(23)16-6-9-19-18(21-16)20-15-5-3-4-14(2)12-15/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyRAHBBBUXJAYGCX-UHFFFAOYSA-N
XLogP3.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-anilinopyrimidin-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109310370
[6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113392
[2-(2-chloroanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299236
[2-(3-bromoanilino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298556
N-[3-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109297792
ethyl 4-[[2-(3-methylanilino)pyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109310198
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299223
[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299311
[2-(2-methoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299249
(4-methylpiperidin-1-yl)-[2-(2-propan-2-ylanilino)pyrimidin-4-yl]methanone
CID 109299227
[2-(cycloheptylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299197
[6-methyl-2-(3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334024

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 109299212) is [2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is Cc1cccc(Nc2nccc(C(=O)N3CCC(C)CC3)n2)c1.
What is the InChIKey of [2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is RAHBBBUXJAYGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-7-10-22(11-8-13)17(23)16-6-9-19-18(21-16)20-15-5-3-4-14(2)12-15/h3-6,9,12-13H,7-8,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of [2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109299212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).