6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine

C21H31N3O3 — CID 143450233

IUPAC6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
SMILESCCCN(CCC)c1cc(N)nc(OCCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C21H31N3O3/c1-5-10-24(11-6-2)17-14-20(22)23-21(15-17)27-12-9-16-7-8-18(25-3)19(13-16)26-4/h7-8,13-15H,5-6,9-12H2,1-4H3,(H2,22,23)
InChIKeyWFQGOEPLKUQADJ-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.93
Rot. Bonds11

About 6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine

6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine (PubChem CID 143450233) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
PubChem CID143450233
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
SMILESCCCN(CCC)c1cc(N)nc(OCCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C21H31N3O3/c1-5-10-24(11-6-2)17-14-20(22)23-21(15-17)27-12-9-16-7-8-18(25-3)19(13-16)26-4/h7-8,13-15H,5-6,9-12H2,1-4H3,(H2,22,23)
InChIKeyWFQGOEPLKUQADJ-UHFFFAOYSA-N
XLogP3.93
TPSA69.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450300
4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane
CID 143341149
6-[2-(cyclohexylideneamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341126
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]pyrrolidine-2,5-dione
CID 143341116
4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine
CID 143533273
6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane
CID 143846965
2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl morpholine-4-carboxylate
CID 143341161
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea
CID 143341072
ethane;molecular hydrogen;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340801
4-[2-[2-(3,4-dimethoxyphenyl)ethyl-propylamino]ethyl]benzene-1,2-diamine
CID 10642093
1,2-dimethoxy-4-propylbenzene;methane
CID 159623020
2-[5-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]pent-1-en-2-ylamino]ethanol;ethane;propane
CID 143847042

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine?
The IUPAC name of 6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine (CID 143450233) is 6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine.
What is the SMILES notation for 6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine?
The canonical SMILES for 6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine is CCCN(CCC)c1cc(N)nc(OCCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine?
The InChIKey is WFQGOEPLKUQADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-5-10-24(11-6-2)17-14-20(22)23-21(15-17)27-12-9-16-7-8-18(25-3)19(13-16)26-4/h7-8,13-15H,5-6,9-12H2,1-4H3,(H2,22,23).
What are the key properties of 6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine?
6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine has a molecular weight of 373.50 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine is sourced from PubChem (CID 143450233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).