(4-fluorophenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone

C19H23FN4O2 — CID 56652072

IUPAC(4-fluorophenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCC(C)COc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C19H23FN4O2/c1-14(2)12-26-18-11-17(21-13-22-18)23-7-9-24(10-8-23)19(25)15-3-5-16(20)6-4-15/h3-6,11,13-14H,7-10,12H2,1-2H3
InChIKeyWJSKDSQEFZEQSB-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.61
Rot. Bonds5

About (4-fluorophenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone

(4-fluorophenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 56652072) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID56652072
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name(4-fluorophenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCC(C)COc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C19H23FN4O2/c1-14(2)12-26-18-11-17(21-13-22-18)23-7-9-24(10-8-23)19(25)15-3-5-16(20)6-4-15/h3-6,11,13-14H,7-10,12H2,1-2H3
InChIKeyWJSKDSQEFZEQSB-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 56652072) is (4-fluorophenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone is CC(C)COc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)ncn1.
What is the InChIKey of (4-fluorophenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is WJSKDSQEFZEQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-14(2)12-26-18-11-17(21-13-22-18)23-7-9-24(10-8-23)19(25)15-3-5-16(20)6-4-15/h3-6,11,13-14H,7-10,12H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 358.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 56652072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).