[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone

C18H22N4O2 — CID 109298426

IUPAC[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1CNc1nccc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C18H22N4O2/c1-24-16-8-4-3-7-14(16)13-20-18-19-10-9-15(21-18)17(23)22-11-5-2-6-12-22/h3-4,7-10H,2,5-6,11-13H2,1H3,(H,19,20,21)
InChIKeyCWYXJFDZPQZYGG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.72
Rot. Bonds5

About [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone

[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 109298426) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID109298426
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1CNc1nccc(C(=O)N2CCCCC2)n1
InChIInChI=1S/C18H22N4O2/c1-24-16-8-4-3-7-14(16)13-20-18-19-10-9-15(21-18)17(23)22-11-5-2-6-12-22/h3-4,7-10H,2,5-6,11-13H2,1H3,(H,19,20,21)
InChIKeyCWYXJFDZPQZYGG-UHFFFAOYSA-N
XLogP2.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302210
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300535
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299156
azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone
CID 109212072
[2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300546
azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294810
piperidin-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294729
1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326670
azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109303309
2-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301562
[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298408
piperidin-1-yl-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295917

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 109298426) is [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone is COc1ccccc1CNc1nccc(C(=O)N2CCCCC2)n1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is CWYXJFDZPQZYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-16-8-4-3-7-14(16)13-20-18-19-10-9-15(21-18)17(23)22-11-5-2-6-12-22/h3-4,7-10H,2,5-6,11-13H2,1H3,(H,19,20,21).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone?
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109298426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).