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

C11H20N4O — CID 112638517

IUPACN'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
SMILESCCNCCCNc1nccc(OCC)n1
InChIInChI=1S/C11H20N4O/c1-3-12-7-5-8-13-11-14-9-6-10(15-11)16-4-2/h6,9,12H,3-5,7-8H2,1-2H3,(H,13,14,15)
InChIKeyASAHFFUCHRQKCF-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.29
Rot. Bonds8

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

N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine (PubChem CID 112638517) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
PubChem CID112638517
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
SMILESCCNCCCNc1nccc(OCC)n1
InChIInChI=1S/C11H20N4O/c1-3-12-7-5-8-13-11-14-9-6-10(15-11)16-4-2/h6,9,12H,3-5,7-8H2,1-2H3,(H,13,14,15)
InChIKeyASAHFFUCHRQKCF-UHFFFAOYSA-N
XLogP1.29
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-[(4-ethoxypyrimidin-2-yl)amino]propyl]carbamate
CID 114518116
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine
CID 112637344
N-[3-[(4-ethoxypyrimidin-2-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 115974608
N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine
CID 115975401
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
N'-(4-ethoxypyrimidin-2-yl)-N,N'-diethylethane-1,2-diamine
CID 112639133
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065
N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 114134754
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
CID 112635975

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine?
The IUPAC name of N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine (CID 112638517) is N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine?
The canonical SMILES for N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine is CCNCCCNc1nccc(OCC)n1.
What is the InChIKey of N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine?
The InChIKey is ASAHFFUCHRQKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-12-7-5-8-13-11-14-9-6-10(15-11)16-4-2/h6,9,12H,3-5,7-8H2,1-2H3,(H,13,14,15).
What are the key properties of N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine?
N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine is sourced from PubChem (CID 112638517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).