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

C18H22N4O2 — CID 109250025

IUPAC[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(C)cc1Nc1ncc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C18H22N4O2/c1-13-6-7-16(24-2)15(10-13)21-18-19-11-14(12-20-18)17(23)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,20,21)
InChIKeyABTSFDASFZHCJW-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.16
Rot. Bonds4

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

[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone (PubChem CID 109250025) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
PubChem CID109250025
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(C)cc1Nc1ncc(C(=O)N2CCCCC2)cn1
InChIInChI=1S/C18H22N4O2/c1-13-6-7-16(24-2)15(10-13)21-18-19-11-14(12-20-18)17(23)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,20,21)
InChIKeyABTSFDASFZHCJW-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]methanone
CID 109261615
azepan-1-yl-[2-(4-chloro-2,5-dimethoxyanilino)pyrimidin-5-yl]methanone
CID 109264943
[2-(3,4-dimethoxyanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250030
[5-(2-methoxy-5-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225626
[2-(3-chloro-4-methoxyanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250016
[2-(5-chloro-2-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253752
[2-(3-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249984
2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109090766
[2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249992
2-(2-methoxy-5-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265712
(4-ethylpiperazin-1-yl)-[6-(2-methoxy-5-methylanilino)-3-pyridinyl]methanone
CID 109154845
N-(3,5-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 109266866

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone (CID 109250025) is [2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone is COc1ccc(C)cc1Nc1ncc(C(=O)N2CCCCC2)cn1.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is ABTSFDASFZHCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-6-7-16(24-2)15(10-13)21-18-19-11-14(12-20-18)17(23)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,19,20,21).
What are the key properties of [2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone?
[2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109250025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).