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

C18H23N5O2 — CID 109302210

IUPAC[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccccc1CNc1nccc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C18H23N5O2/c1-22-9-11-23(12-10-22)17(24)15-7-8-19-18(21-15)20-13-14-5-3-4-6-16(14)25-2/h3-8H,9-13H2,1-2H3,(H,19,20,21)
InChIKeyBPUDKQDMITVNKI-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.48
Rot. Bonds5

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

[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109302210) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109302210
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccccc1CNc1nccc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/C18H23N5O2/c1-22-9-11-23(12-10-22)17(24)15-7-8-19-18(21-15)20-13-14-5-3-4-6-16(14)25-2/h3-8H,9-13H2,1-2H3,(H,19,20,21)
InChIKeyBPUDKQDMITVNKI-UHFFFAOYSA-N
XLogP1.48
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-morpholin-4-ylmethanone
CID 109300535
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109299156
[2-[2-(2-methoxyphenyl)ethylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300546
1-[4-[2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326670
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302276
2-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109301562
azepan-1-yl-[4-[(2-methoxyphenyl)methylamino]-2-pyridinyl]methanone
CID 109212072
[2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302252
1-[4-[6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346001
[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109305270
[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109305262

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 109302210) is [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is COc1ccccc1CNc1nccc(C(=O)N2CCN(C)CC2)n1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is BPUDKQDMITVNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22-9-11-23(12-10-22)17(24)15-7-8-19-18(21-15)20-13-14-5-3-4-6-16(14)25-2/h3-8H,9-13H2,1-2H3,(H,19,20,21).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 341.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109302210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).