N'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine

C15H19FN4O — CID 115974267

IUPACN'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine
SMILESCCOc1ccnc(N(CCCN)c2cccc(F)c2)n1
InChIInChI=1S/C15H19FN4O/c1-2-21-14-7-9-18-15(19-14)20(10-4-8-17)13-6-3-5-12(16)11-13/h3,5-7,9,11H,2,4,8,10,17H2,1H3
InChIKeyINQPLWFSCXBIIV-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.50
Rot. Bonds7

About N'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine

N'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine (PubChem CID 115974267) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is N'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine
PubChem CID115974267
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC NameN'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine
SMILESCCOc1ccnc(N(CCCN)c2cccc(F)c2)n1
InChIInChI=1S/C15H19FN4O/c1-2-21-14-7-9-18-15(19-14)20(10-4-8-17)13-6-3-5-12(16)11-13/h3,5-7,9,11H,2,4,8,10,17H2,1H3
InChIKeyINQPLWFSCXBIIV-UHFFFAOYSA-N
XLogP2.50
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(6-ethoxy-2-pyridinyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63590009
N'-(6-ethoxy-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 63589833
N'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine
CID 43136251
N'-(5-fluoropyrimidin-2-yl)-N'-(3-methylphenyl)propane-1,3-diamine
CID 104606031
N'-(5-fluoropyrimidin-2-yl)-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 104606037
N'-[2-(diethylamino)ethyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 43319044
N'-(6-ethoxy-2-methylpyrimidin-4-yl)-N'-phenylpropane-1,3-diamine
CID 66333111
N'-(3-fluorophenyl)-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
CID 63152450
N'-(3-ethylsulfonylpropyl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 65094027
1-[3-aminopropyl(ethylsulfamoyl)amino]-3-fluorobenzene
CID 114803403
1-(3-aminopropyl)-3-ethyl-1-(3-fluorophenyl)urea
CID 43164864
N'-(1,3-benzoxazol-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 61033078

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine (CID 115974267) is N'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine is CCOc1ccnc(N(CCCN)c2cccc(F)c2)n1.
What is the InChIKey of N'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine?
The InChIKey is INQPLWFSCXBIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-2-21-14-7-9-18-15(19-14)20(10-4-8-17)13-6-3-5-12(16)11-13/h3,5-7,9,11H,2,4,8,10,17H2,1H3.
What are the key properties of N'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine?
N'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine has a molecular weight of 290.34 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxypyrimidin-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 115974267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).