[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone

C18H22N4O2 — CID 109250762

IUPAC[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2ncc(C(=O)N3CCC(C)CC3)cn2)cc1
InChIInChI=1S/C18H22N4O2/c1-13-7-9-22(10-8-13)17(23)14-11-19-18(20-12-14)21-15-3-5-16(24-2)6-4-15/h3-6,11-13H,7-10H2,1-2H3,(H,19,20,21)
InChIKeyUNHRNGONNADBAV-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.10
Rot. Bonds4

About [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone

[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109250762) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109250762
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(Nc2ncc(C(=O)N3CCC(C)CC3)cn2)cc1
InChIInChI=1S/C18H22N4O2/c1-13-7-9-22(10-8-13)17(23)14-11-19-18(20-12-14)21-15-3-5-16(24-2)6-4-15/h3-6,11-13H,7-10H2,1-2H3,(H,19,20,21)
InChIKeyUNHRNGONNADBAV-UHFFFAOYSA-N
XLogP3.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261137
[2-(3-chloro-4-fluoroanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250754
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081898
[6-(4-methoxyanilino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364360
[2-(4-chloroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46226043
[2-(cyclopropylamino)pyrimidin-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109247542
2,3-dihydroindol-1-yl-[2-(4-methoxyanilino)pyrimidin-5-yl]methanone
CID 109266092
methyl 4-[[5-(morpholine-4-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109252166
[2-(cycloheptylamino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250708
1-[4-[2-(4-methylanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254658
[6-(3,4-dimethoxyanilino)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152644

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone (CID 109250762) is [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone is COc1ccc(Nc2ncc(C(=O)N3CCC(C)CC3)cn2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is UNHRNGONNADBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-7-9-22(10-8-13)17(23)14-11-19-18(20-12-14)21-15-3-5-16(24-2)6-4-15/h3-6,11-13H,7-10H2,1-2H3,(H,19,20,21).
What are the key properties of [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone?
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109250762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).