5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine

C13H15FN4 — CID 102536124

IUPAC5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
SMILESNc1ncc(CNCCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H15FN4/c14-12-3-1-10(2-4-12)5-6-16-7-11-8-17-13(15)18-9-11/h1-4,8-9,16H,5-7H2,(H2,15,17,18)
InChIKeyQDKZBPXRYTXNOC-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.53
Rot. Bonds5

About 5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine

5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine (PubChem CID 102536124) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
PubChem CID102536124
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
SMILESNc1ncc(CNCCc2ccc(F)cc2)cn1
InChIInChI=1S/C13H15FN4/c14-12-3-1-10(2-4-12)5-6-16-7-11-8-17-13(15)18-9-11/h1-4,8-9,16H,5-7H2,(H2,15,17,18)
InChIKeyQDKZBPXRYTXNOC-UHFFFAOYSA-N
XLogP1.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
CID 102536258
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762139
2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 55114310
N-[(3,4-dichlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958378
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80785277
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723814
2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104751434
N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730059
4-[[2-(4-fluorophenyl)ethylamino]methyl]-N,N-dimethylaniline;dihydrochloride
CID 17123265
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
2-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 112640127

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine (CID 102536124) is 5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine is Nc1ncc(CNCCc2ccc(F)cc2)cn1.
What is the InChIKey of 5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine?
The InChIKey is QDKZBPXRYTXNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c14-12-3-1-10(2-4-12)5-6-16-7-11-8-17-13(15)18-9-11/h1-4,8-9,16H,5-7H2,(H2,15,17,18).
What are the key properties of 5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine?
5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine has a molecular weight of 246.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 102536124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).