[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C19H24N4O2 — CID 109299156

IUPAC[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1CNc1nccc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C19H24N4O2/c1-14-8-11-23(12-9-14)18(24)16-7-10-20-19(22-16)21-13-15-5-3-4-6-17(15)25-2/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,20,21,22)
InChIKeyASDZYVSWIIMVPJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.97
Rot. Bonds5

About [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109299156) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109299156
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1CNc1nccc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C19H24N4O2/c1-14-8-11-23(12-9-14)18(24)16-7-10-20-19(22-16)21-13-15-5-3-4-6-17(15)25-2/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,20,21,22)
InChIKeyASDZYVSWIIMVPJ-UHFFFAOYSA-N
XLogP2.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298426
[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-methoxyanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299249
[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299157
[2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300546
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299223
[2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323130
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299158
1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326670
azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone
CID 109212072
[2-(2-chloroanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299236

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 109299156) is [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone is COc1ccccc1CNc1nccc(C(=O)N2CCC(C)CC2)n1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ASDZYVSWIIMVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-8-11-23(12-9-14)18(24)16-7-10-20-19(22-16)21-13-15-5-3-4-6-17(15)25-2/h3-7,10,14H,8-9,11-13H2,1-2H3,(H,20,21,22).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.97, 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]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109299156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).