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

C15H19FN4 — CID 102536258

IUPACN-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
SMILESCCNc1ncc(CNCCc2ccc(F)cc2)cn1
InChIInChI=1S/C15H19FN4/c1-2-18-15-19-10-13(11-20-15)9-17-8-7-12-3-5-14(16)6-4-12/h3-6,10-11,17H,2,7-9H2,1H3,(H,18,19,20)
InChIKeyWHPPHLHAIHOOJD-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.38
Rot. Bonds7

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

N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine (PubChem CID 102536258) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
PubChem CID102536258
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC NameN-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
SMILESCCNc1ncc(CNCCc2ccc(F)cc2)cn1
InChIInChI=1S/C15H19FN4/c1-2-18-15-19-10-13(11-20-15)9-17-8-7-12-3-5-14(16)6-4-12/h3-6,10-11,17H,2,7-9H2,1H3,(H,18,19,20)
InChIKeyWHPPHLHAIHOOJD-UHFFFAOYSA-N
XLogP2.38
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.38
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

5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine
CID 102536124
N-ethyl-5-(ethylaminomethyl)pyrimidin-2-amine
CID 102536247
5-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N-ethylpyrimidin-2-amine
CID 102536285
3-[[2-(ethylamino)pyrimidin-5-yl]methylamino]propanoic acid
CID 102536297
2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 55114310
5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine
CID 102536280
N-ethyl-5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]pyrimidin-2-amine
CID 56901818
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
N,N-diethyl-4-[[2-(4-fluorophenyl)ethylamino]methyl]aniline chloride
CID 53351243
2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762139
N-[[2-[2-(4-fluorophenyl)propan-2-yl]pyrimidin-5-yl]methyl]propan-1-amine
CID 64769555
N-[(3,4-dichlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 11958378

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine (CID 102536258) is N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine is CCNc1ncc(CNCCc2ccc(F)cc2)cn1.
What is the InChIKey of N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine?
The InChIKey is WHPPHLHAIHOOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-2-18-15-19-10-13(11-20-15)9-17-8-7-12-3-5-14(16)6-4-12/h3-6,10-11,17H,2,7-9H2,1H3,(H,18,19,20).
What are the key properties of N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine?
N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine has a molecular weight of 274.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 102536258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).