[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone

C18H22FN5O — CID 56699775

IUPAC[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCNc1nc(C)cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H22FN5O/c1-3-20-18-21-13(2)12-16(22-18)23-8-10-24(11-9-23)17(25)14-4-6-15(19)7-5-14/h4-7,12H,3,8-11H2,1-2H3,(H,20,21,22)
InChIKeyJPNYHGLTCZIFDD-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.32
Rot. Bonds4

About [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone

[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 56699775) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID56699775
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCCNc1nc(C)cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H22FN5O/c1-3-20-18-21-13(2)12-16(22-18)23-8-10-24(11-9-23)17(25)14-4-6-15(19)7-5-14/h4-7,12H,3,8-11H2,1-2H3,(H,20,21,22)
InChIKeyJPNYHGLTCZIFDD-UHFFFAOYSA-N
XLogP2.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone (CID 56699775) is [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone is CCNc1nc(C)cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)n1.
What is the InChIKey of [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is JPNYHGLTCZIFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-3-20-18-21-13(2)12-16(22-18)23-8-10-24(11-9-23)17(25)14-4-6-15(19)7-5-14/h4-7,12H,3,8-11H2,1-2H3,(H,20,21,22).
What are the key properties of [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 343.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 56699775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).