4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane

C22H38N4O2 — CID 143341149

IUPAC4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane
SMILESCC.CC.CCCN(CCC)c1cc(N)nc(OCCOc2ccccn2)c1
InChIInChI=1S/C18H26N4O2.2C2H6/c1-3-9-22(10-4-2)15-13-16(19)21-18(14-15)24-12-11-23-17-7-5-6-8-20-17;2*1-2/h5-8,13-14H,3-4,9-12H2,1-2H3,(H2,19,21);2*1-2H3
InChIKeyMIRXGSYVHIWZHJ-UHFFFAOYSA-N
MW390.57 g/mol
LogP5.20
Rot. Bonds10

About 4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane

4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane (PubChem CID 143341149) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is 4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane.

Molecular Properties

Compound Name4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane
PubChem CID143341149
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC Name4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane
SMILESCC.CC.CCCN(CCC)c1cc(N)nc(OCCOc2ccccn2)c1
InChIInChI=1S/C18H26N4O2.2C2H6/c1-3-9-22(10-4-2)15-13-16(19)21-18(14-15)24-12-11-23-17-7-5-6-8-20-17;2*1-2/h5-8,13-14H,3-4,9-12H2,1-2H3,(H2,19,21);2*1-2H3
InChIKeyMIRXGSYVHIWZHJ-UHFFFAOYSA-N
XLogP5.20
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341509
ethane;6-[2-(2-methoxyethoxy)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143846971
6-ethoxy-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340794
ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450300
6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450233
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea
CID 143341072
6-[2-(cyclohexylideneamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341126
4-N,4-N-dipropyl-6-[2-(pyridin-2-ylamino)ethoxy]pyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143450334
6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane
CID 143846965
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]pyrrolidine-2,5-dione
CID 143341116
ethane;molecular hydrogen;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340801
6-[2-[(5-chloro-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane;(3-methylphenyl)methanimine
CID 143341441

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane?
The IUPAC name of 4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane (CID 143341149) is 4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane.
What is the SMILES notation for 4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane?
The canonical SMILES for 4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane is CC.CC.CCCN(CCC)c1cc(N)nc(OCCOc2ccccn2)c1.
What is the InChIKey of 4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane?
The InChIKey is MIRXGSYVHIWZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.2C2H6/c1-3-9-22(10-4-2)15-13-16(19)21-18(14-15)24-12-11-23-17-7-5-6-8-20-17;2*1-2/h5-8,13-14H,3-4,9-12H2,1-2H3,(H2,19,21);2*1-2H3.
What are the key properties of 4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane?
4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane has a molecular weight of 390.57 g/mol, XLogP of 5.20, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane is sourced from PubChem (CID 143341149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).