cyclopropyl-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone

C20H23FN4O2 — CID 83287311

IUPACcyclopropyl-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone
SMILESCc1cc(F)ccc1Oc1cc(N2CCN(C(=O)C3CC3)C(C)C2)ncn1
InChIInChI=1S/C20H23FN4O2/c1-13-9-16(21)5-6-17(13)27-19-10-18(22-12-23-19)24-7-8-25(14(2)11-24)20(26)15-3-4-15/h5-6,9-10,12,14-15H,3-4,7-8,11H2,1-2H3
InChIKeyBHMGVUMOZZCLHM-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.16
Rot. Bonds4

About cyclopropyl-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone

cyclopropyl-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone (PubChem CID 83287311) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is cyclopropyl-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone
PubChem CID83287311
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Namecyclopropyl-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone
SMILESCc1cc(F)ccc1Oc1cc(N2CCN(C(=O)C3CC3)C(C)C2)ncn1
InChIInChI=1S/C20H23FN4O2/c1-13-9-16(21)5-6-17(13)27-19-10-18(22-12-23-19)24-7-8-25(14(2)11-24)20(26)15-3-4-15/h5-6,9-10,12,14-15H,3-4,7-8,11H2,1-2H3
InChIKeyBHMGVUMOZZCLHM-UHFFFAOYSA-N
XLogP3.16
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone (CID 83287311) is cyclopropyl-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone is Cc1cc(F)ccc1Oc1cc(N2CCN(C(=O)C3CC3)C(C)C2)ncn1.
What is the InChIKey of cyclopropyl-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone?
The InChIKey is BHMGVUMOZZCLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-13-9-16(21)5-6-17(13)27-19-10-18(22-12-23-19)24-7-8-25(14(2)11-24)20(26)15-3-4-15/h5-6,9-10,12,14-15H,3-4,7-8,11H2,1-2H3.
What are the key properties of cyclopropyl-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone?
cyclopropyl-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone has a molecular weight of 370.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 83287311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).