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

C18H22FN5O2 — CID 109342792

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
SMILESCOCCNc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ncn1
InChIInChI=1S/C18H22FN5O2/c1-26-11-6-20-17-12-15(21-13-22-17)18(25)24-9-7-23(8-10-24)16-5-3-2-4-14(16)19/h2-5,12-13H,6-11H2,1H3,(H,20,21,22)
InChIKeyYLLNLNGRFASBGX-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.64
Rot. Bonds6

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

[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone (PubChem CID 109342792) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
PubChem CID109342792
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
SMILESCOCCNc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ncn1
InChIInChI=1S/C18H22FN5O2/c1-26-11-6-20-17-12-15(21-13-22-17)18(25)24-9-7-23(8-10-24)16-5-3-2-4-14(16)19/h2-5,12-13H,6-11H2,1H3,(H,20,21,22)
InChIKeyYLLNLNGRFASBGX-UHFFFAOYSA-N
XLogP1.64
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-[6-(pentylamino)pyrimidin-4-yl]methanone
CID 109353033
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109152902
[6-(butan-2-ylamino)pyrimidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109340634
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109082360
[6-(2-methoxyethylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109342793
[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109344728
3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone
CID 109342821
[6-(3-methoxypropylamino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341012
(4-ethylpiperazin-1-yl)-[6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109345442
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112885713
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one
CID 109015201
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone
CID 109286479

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone (CID 109342792) is [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone is COCCNc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ncn1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone?
The InChIKey is YLLNLNGRFASBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-26-11-6-20-17-12-15(21-13-22-17)18(25)24-9-7-23(8-10-24)16-5-3-2-4-14(16)19/h2-5,12-13H,6-11H2,1H3,(H,20,21,22).
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone has a molecular weight of 359.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)pyrimidin-4-yl]methanone is sourced from PubChem (CID 109342792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).