[1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

C24H32N6O2 — CID 122343425

IUPAC[1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C1(C(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)CC1
InChIInChI=1S/C24H32N6O2/c1-27-9-11-28(12-10-27)21-17-22(26-18-25-21)29-13-15-30(16-14-29)23(31)24(7-8-24)19-5-3-4-6-20(19)32-2/h3-6,17-18H,7-16H2,1-2H3
InChIKeyPLUSPNAUECMBOC-UHFFFAOYSA-N
MW436.56 g/mol
LogP1.62
Rot. Bonds5

About [1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

[1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 122343425) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID122343425
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name[1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C1(C(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)CC1
InChIInChI=1S/C24H32N6O2/c1-27-9-11-28(12-10-27)21-17-22(26-18-25-21)29-13-15-30(16-14-29)23(31)24(7-8-24)19-5-3-4-6-20(19)32-2/h3-6,17-18H,7-16H2,1-2H3
InChIKeyPLUSPNAUECMBOC-UHFFFAOYSA-N
XLogP1.62
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-(2-methoxyphenyl)cyclopropyl]-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122349471
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 122332260
[1-(2-methoxyphenyl)cyclopropyl]-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355598
[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 30945052
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 122348099
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168175
(7-methoxy-1-benzofuran-2-yl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343430
[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 155981877
[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 71873119
(3-fluoro-4-methoxyphenyl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343513
[1-(2-methoxyphenyl)cyclopropyl]-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121187521
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of [1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 122343425) is [1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is COc1ccccc1C1(C(=O)N2CCN(c3cc(N4CCN(C)CC4)ncn3)CC2)CC1.
What is the InChIKey of [1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is PLUSPNAUECMBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-27-9-11-28(12-10-27)21-17-22(26-18-25-21)29-13-15-30(16-14-29)23(31)24(7-8-24)19-5-3-4-6-20(19)32-2/h3-6,17-18H,7-16H2,1-2H3.
What are the key properties of [1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
[1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 436.56 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122343425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).