ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine

C29H42N6O2 — CID 143533554

IUPACethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine
SMILESCC.CCCN(CCC)c1cc(OCCN2CCOCC2)nc(/C=N/Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C27H36N6O2.C2H6/c1-3-11-33(12-4-2)26-20-27(35-18-15-32-13-16-34-17-14-32)30-25(29-26)21-28-31-24-10-9-22-7-5-6-8-23(22)19-24;1-2/h5-10,19-21,31H,3-4,11-18H2,1-2H3;1-2H3/b28-21+;
InChIKeyXUXSLTANPJNOIX-HUPDFLJJSA-N
MW506.70 g/mol
LogP5.44
Rot. Bonds12

About ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine

ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine (PubChem CID 143533554) has the molecular formula C29H42N6O2 and a molecular weight of 506.70 g/mol. Its IUPAC name is ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Nameethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine
PubChem CID143533554
Molecular FormulaC29H42N6O2
Molecular Weight506.70 g/mol
Exact Mass506.34
IUPAC Nameethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine
SMILESCC.CCCN(CCC)c1cc(OCCN2CCOCC2)nc(/C=N/Nc2ccc3ccccc3c2)n1
InChIInChI=1S/C27H36N6O2.C2H6/c1-3-11-33(12-4-2)26-20-27(35-18-15-32-13-16-34-17-14-32)30-25(29-26)21-28-31-24-10-9-22-7-5-6-8-23(22)19-24;1-2/h5-10,19-21,31H,3-4,11-18H2,1-2H3;1-2H3/b28-21+;
InChIKeyXUXSLTANPJNOIX-HUPDFLJJSA-N
XLogP5.44
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.70
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[(2-ethyl-2,3-dihydrothiophen-5-yl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyrimidin-4-amine
CID 89332245
2-[(E)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-(2-morpholin-4-ylethoxy)-N,N-dipropylpyridin-4-amine
CID 89358336
3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
CID 89163631
5-ethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methylideneamino]thiophen-2-amine
CID 66648274
ethane;molecular hydrogen;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340801
N-[[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]naphthalen-2-amine
CID 66648026
3,4-dimethyl-N-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylideneamino]aniline
CID 66648014
ethane;3-methanimidoyl-N-methylaniline;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341036
2-N-[(E)-[4-(dipropylamino)-6-(2-pyridin-2-ylethoxy)pyrimidin-2-yl]methylideneamino]-4-methylbenzene-1,2-diamine;ethane
CID 143341180
2-[2-[ethyl(pentyl)amino]ethoxy]-6-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine
CID 143340641
ethane;6-N-[(Z)-(3-methyl-2,3-dihydroinden-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 143333390
2-N-[4-amino-3-[(E)-but-2-en-2-yl]phenyl]-4-(2-morpholin-4-ylethoxy)-6-N,6-N-dipropylpyridine-2,6-diamine;ethane
CID 143450441

Frequently Asked Questions

What is the IUPAC name of ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine?
The IUPAC name of ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine (CID 143533554) is ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine.
What is the SMILES notation for ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine?
The canonical SMILES for ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine is CC.CCCN(CCC)c1cc(OCCN2CCOCC2)nc(/C=N/Nc2ccc3ccccc3c2)n1.
What is the InChIKey of ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine?
The InChIKey is XUXSLTANPJNOIX-HUPDFLJJSA-N. The full InChI is InChI=1S/C27H36N6O2.C2H6/c1-3-11-33(12-4-2)26-20-27(35-18-15-32-13-16-34-17-14-32)30-25(29-26)21-28-31-24-10-9-22-7-5-6-8-23(22)19-24;1-2/h5-10,19-21,31H,3-4,11-18H2,1-2H3;1-2H3/b28-21+;.
What are the key properties of ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine?
ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine has a molecular weight of 506.70 g/mol, XLogP of 5.44, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(2-morpholin-4-ylethoxy)-2-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]-N,N-dipropylpyrimidin-4-amine is sourced from PubChem (CID 143533554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).