ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine

C21H39N5O — CID 143450300

IUPACethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
SMILESCC.CC.CCCN(CCC)c1cc(N)nc(OCCc2cnc(C)[nH]2)c1
InChIInChI=1S/C17H27N5O.2C2H6/c1-4-7-22(8-5-2)15-10-16(18)21-17(11-15)23-9-6-14-12-19-13(3)20-14;2*1-2/h10-12H,4-9H2,1-3H3,(H2,18,21)(H,19,20);2*1-2H3
InChIKeyWJGRXBSVMPTNOY-UHFFFAOYSA-N
MW377.58 g/mol
LogP5.00
Rot. Bonds9

About ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine

ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine (PubChem CID 143450300) has the molecular formula C21H39N5O and a molecular weight of 377.58 g/mol. Its IUPAC name is ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine.

Molecular Properties

Compound Nameethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
PubChem CID143450300
Molecular FormulaC21H39N5O
Molecular Weight377.58 g/mol
Exact Mass377.32
IUPAC Nameethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
SMILESCC.CC.CCCN(CCC)c1cc(N)nc(OCCc2cnc(C)[nH]2)c1
InChIInChI=1S/C17H27N5O.2C2H6/c1-4-7-22(8-5-2)15-10-16(18)21-17(11-15)23-9-6-14-12-19-13(3)20-14;2*1-2/h10-12H,4-9H2,1-3H3,(H2,18,21)(H,19,20);2*1-2H3
InChIKeyWJGRXBSVMPTNOY-UHFFFAOYSA-N
XLogP5.00
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.58
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340794
ethane;6-[2-(2-methoxyethoxy)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143846971
4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane
CID 143341149
6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450233
ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341509
6-[2-(cyclohexylideneamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341126
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
4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine
CID 143533273
2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl morpholine-4-carboxylate
CID 143341161
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 ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine?
The IUPAC name of ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine (CID 143450300) is ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine.
What is the SMILES notation for ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine?
The canonical SMILES for ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine is CC.CC.CCCN(CCC)c1cc(N)nc(OCCc2cnc(C)[nH]2)c1.
What is the InChIKey of ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine?
The InChIKey is WJGRXBSVMPTNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O.2C2H6/c1-4-7-22(8-5-2)15-10-16(18)21-17(11-15)23-9-6-14-12-19-13(3)20-14;2*1-2/h10-12H,4-9H2,1-3H3,(H2,18,21)(H,19,20);2*1-2H3.
What are the key properties of ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine?
ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine has a molecular weight of 377.58 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine is sourced from PubChem (CID 143450300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).