1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone

C18H22FN5O — CID 112858398

IUPAC1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(NCCc3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C18H22FN5O/c1-14(25)23-8-10-24(11-9-23)18-12-17(21-13-22-18)20-7-6-15-2-4-16(19)5-3-15/h2-5,12-13H,6-11H2,1H3,(H,20,21,22)
InChIKeyPGCYDEXKJKQFIT-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.94
Rot. Bonds5

About 1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 112858398) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID112858398
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(NCCc3ccc(F)cc3)ncn2)CC1
InChIInChI=1S/C18H22FN5O/c1-14(25)23-8-10-24(11-9-23)18-12-17(21-13-22-18)20-7-6-15-2-4-16(19)5-3-15/h2-5,12-13H,6-11H2,1H3,(H,20,21,22)
InChIKeyPGCYDEXKJKQFIT-UHFFFAOYSA-N
XLogP1.94
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112861382
1-[4-[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858437
1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112855082
4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
1-[4-[6-(3-methoxypropylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112856840
1-[4-[6-[2-(4-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109367835
N-[2-(4-fluorophenyl)ethyl]-6-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 155942152
1-[4-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858393
N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861452
4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 112856046
1-[4-[6-(3,4-dimethylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858450
N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859720

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 112858398) is 1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(NCCc3ccc(F)cc3)ncn2)CC1.
What is the InChIKey of 1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is PGCYDEXKJKQFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-14(25)23-8-10-24(11-9-23)18-12-17(21-13-22-18)20-7-6-15-2-4-16(19)5-3-15/h2-5,12-13H,6-11H2,1H3,(H,20,21,22).
What are the key properties of 1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 343.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 112858398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).