2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine

C17H22FN5O — CID 112885713

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1ccnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C17H22FN5O/c1-24-13-8-19-16-6-7-20-17(21-16)23-11-9-22(10-12-23)15-5-3-2-4-14(15)18/h2-7H,8-13H2,1H3,(H,19,20,21)
InChIKeyIBFLHIOUHPTPLV-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.00
Rot. Bonds6

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 112885713) has the molecular formula C17H22FN5O and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID112885713
Molecular FormulaC17H22FN5O
Molecular Weight331.40 g/mol
Exact Mass331.18
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1ccnc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C17H22FN5O/c1-24-13-8-19-16-6-7-20-17(21-16)23-11-9-22(10-12-23)15-5-3-2-4-14(15)18/h2-7H,8-13H2,1H3,(H,19,20,21)
InChIKeyIBFLHIOUHPTPLV-UHFFFAOYSA-N
XLogP2.00
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299842
2-(4-aminopiperidin-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 94672450
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 94672451
N-[2-(2-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112888098
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)pyrimidin-4-amine
CID 112898533
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)pyrimidin-4-amine
CID 112893947
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine
CID 112898256
N-(4-chlorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898527
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295385
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 42847722
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine
CID 112898537
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109152902

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine (CID 112885713) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine is COCCNc1ccnc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is IBFLHIOUHPTPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-24-13-8-19-16-6-7-20-17(21-16)23-11-9-22(10-12-23)15-5-3-2-4-14(15)18/h2-7H,8-13H2,1H3,(H,19,20,21).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 331.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 112885713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).