(5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol

C27H40N6O2 — CID 143341512

IUPAC(5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol
SMILESCCCN(CCC)c1cc(N/N=C2\CCCc3cc(O)ccc32)nc(OCCN2CCCCC2)n1
InChIInChI=1S/C27H40N6O2/c1-3-13-33(14-4-2)26-20-25(28-27(29-26)35-18-17-32-15-6-5-7-16-32)31-30-24-10-8-9-21-19-22(34)11-12-23(21)24/h11-12,19-20,34H,3-10,13-18H2,1-2H3,(H,28,29,31)/b30-24+
InChIKeyQCJWWKZJELZDAJ-BGABXYSRSA-N
MW480.66 g/mol
LogP4.83
Rot. Bonds11

About (5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol

(5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol (PubChem CID 143341512) has the molecular formula C27H40N6O2 and a molecular weight of 480.66 g/mol. Its IUPAC name is (5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol.

Molecular Properties

Compound Name(5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol
PubChem CID143341512
Molecular FormulaC27H40N6O2
Molecular Weight480.66 g/mol
Exact Mass480.32
IUPAC Name(5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol
SMILESCCCN(CCC)c1cc(N/N=C2\CCCc3cc(O)ccc32)nc(OCCN2CCCCC2)n1
InChIInChI=1S/C27H40N6O2/c1-3-13-33(14-4-2)26-20-25(28-27(29-26)35-18-17-32-15-6-5-7-16-32)31-30-24-10-8-9-21-19-22(34)11-12-23(21)24/h11-12,19-20,34H,3-10,13-18H2,1-2H3,(H,28,29,31)/b30-24+
InChIKeyQCJWWKZJELZDAJ-BGABXYSRSA-N
XLogP4.83
TPSA86.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol
CID 136638391
ethane;6-N-[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 143333391
ethane;6-N-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 143333478
(1E)-1-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-2,3-dihydroinden-4-ol;ethane
CID 143341593
6-N-[(E)-(5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine;ethane
CID 143340754
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
N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine
CID 143450308
6-[(E)-[(4,5-dimethylfuran-2-yl)hydrazinylidene]methyl]-2-(2-piperidin-1-ylethoxy)-N,N-dipropylpyrimidin-4-amine
CID 89332288
N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 73203161
(3E)-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-1-benzofuran-6-ol
CID 135401554
1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea
CID 143450356
(5E)-5-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-1-ol
CID 58085757

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol?
The IUPAC name of (5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol (CID 143341512) is (5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol.
What is the SMILES notation for (5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol?
The canonical SMILES for (5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol is CCCN(CCC)c1cc(N/N=C2\CCCc3cc(O)ccc32)nc(OCCN2CCCCC2)n1.
What is the InChIKey of (5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol?
The InChIKey is QCJWWKZJELZDAJ-BGABXYSRSA-N. The full InChI is InChI=1S/C27H40N6O2/c1-3-13-33(14-4-2)26-20-25(28-27(29-26)35-18-17-32-15-6-5-7-16-32)31-30-24-10-8-9-21-19-22(34)11-12-23(21)24/h11-12,19-20,34H,3-10,13-18H2,1-2H3,(H,28,29,31)/b30-24+.
What are the key properties of (5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol?
(5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol has a molecular weight of 480.66 g/mol, XLogP of 4.83, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[6-(dipropylamino)-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol is sourced from PubChem (CID 143341512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).