(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone

C18H22FN5O — CID 109254005

IUPAC(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
SMILESCCN1CCN(C(=O)c2cnc(NCc3ccccc3F)nc2)CC1
InChIInChI=1S/C18H22FN5O/c1-2-23-7-9-24(10-8-23)17(25)15-12-21-18(22-13-15)20-11-14-5-3-4-6-16(14)19/h3-6,12-13H,2,7-11H2,1H3,(H,20,21,22)
InChIKeyAKTWKRCCUPNGCY-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.01
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone

(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone (PubChem CID 109254005) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
PubChem CID109254005
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
SMILESCCN1CCN(C(=O)c2cnc(NCc3ccccc3F)nc2)CC1
InChIInChI=1S/C18H22FN5O/c1-2-23-7-9-24(10-8-23)17(25)15-12-21-18(22-13-15)20-11-14-5-3-4-6-16(14)19/h3-6,12-13H,2,7-11H2,1H3,(H,20,21,22)
InChIKeyAKTWKRCCUPNGCY-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257044
[2-(benzylamino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109253999
[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109257022
(4-ethylpiperazin-1-yl)-[5-[(2-fluorophenyl)methylamino]-3-pyridinyl]methanone
CID 109230420
1-[4-[2-[2-(2-fluorophenyl)ethylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254624
5-(4-ethylpiperazine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109104543
[2-[2-(2-fluorophenyl)ethylamino]pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253672
(4-ethylpiperazin-1-yl)-[6-[(2-fluorophenyl)methylamino]-2-methylpyrimidin-4-yl]methanone
CID 109367307
1-[4-[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254606
[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254031
ethyl 4-[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 109255699
2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide
CID 109246495

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone (CID 109254005) is (4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone is CCN1CCN(C(=O)c2cnc(NCc3ccccc3F)nc2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone?
The InChIKey is AKTWKRCCUPNGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-2-23-7-9-24(10-8-23)17(25)15-12-21-18(22-13-15)20-11-14-5-3-4-6-16(14)19/h3-6,12-13H,2,7-11H2,1H3,(H,20,21,22).
What are the key properties of (4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone?
(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone has a molecular weight of 343.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 109254005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).