3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine;hydrochloride

C19H23ClFN5 — CID 118730382

IUPAC3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine;hydrochloride
SMILESCc1cncn1-c1nccc(CCNCCCc2cccc(F)c2)n1.Cl
InChIInChI=1S/C19H22FN5.ClH/c1-15-13-22-14-25(15)19-23-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16;/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3;1H
InChIKeyNTYRNOKRWWTRNO-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.30
Rot. Bonds8

About 3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine;hydrochloride

3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine;hydrochloride (PubChem CID 118730382) has the molecular formula C19H23ClFN5 and a molecular weight of 375.88 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine;hydrochloride
PubChem CID118730382
Molecular FormulaC19H23ClFN5
Molecular Weight375.88 g/mol
Exact Mass375.16
IUPAC Name3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine;hydrochloride
SMILESCc1cncn1-c1nccc(CCNCCCc2cccc(F)c2)n1.Cl
InChIInChI=1S/C19H22FN5.ClH/c1-15-13-22-14-25(15)19-23-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16;/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3;1H
InChIKeyNTYRNOKRWWTRNO-UHFFFAOYSA-N
XLogP3.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 115202153
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CID 54961050
N-[2-(2,4-dimethyl-1,4-dihydropyrimidin-6-yl)ethyl]-3-(3-fluorophenyl)propan-1-amine
CID 118656314
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CID 103605841
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CID 43401980
N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 43566239
ethyl 2-[2-[[3-(3-fluorophenyl)propylamino]methyl]-1,3-thiazol-4-yl]acetate
CID 70349133
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CID 147969394
2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
CID 60697587
N-[2-(3-fluorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117836

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine;hydrochloride?
The IUPAC name of 3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine;hydrochloride (CID 118730382) is 3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine;hydrochloride is Cc1cncn1-c1nccc(CCNCCCc2cccc(F)c2)n1.Cl.
What is the InChIKey of 3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine;hydrochloride?
The InChIKey is NTYRNOKRWWTRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5.ClH/c1-15-13-22-14-25(15)19-23-11-8-18(24-19)7-10-21-9-3-5-16-4-2-6-17(20)12-16;/h2,4,6,8,11-14,21H,3,5,7,9-10H2,1H3;1H.
What are the key properties of 3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine;hydrochloride?
3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine;hydrochloride has a molecular weight of 375.88 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[2-[2-(5-methylimidazol-1-yl)pyrimidin-4-yl]ethyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 118730382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).