[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine

C14H23N5O — CID 102729224

IUPAC[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine
SMILESCOc1c(NN)ncnc1N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C14H23N5O/c1-20-12-13(18-15)16-9-17-14(12)19-8-4-6-10-5-2-3-7-11(10)19/h9-11H,2-8,15H2,1H3,(H,16,17,18)/t10-,11-/m1/s1
InChIKeyBHGWJRBLRXZDJW-GHMZBOCLSA-N
MW277.37 g/mol
LogP1.93
Rot. Bonds3

About [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine

[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine (PubChem CID 102729224) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine
PubChem CID102729224
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine
SMILESCOc1c(NN)ncnc1N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C14H23N5O/c1-20-12-13(18-15)16-9-17-14(12)19-8-4-6-10-5-2-3-7-11(10)19/h9-11H,2-8,15H2,1H3,(H,16,17,18)/t10-,11-/m1/s1
InChIKeyBHGWJRBLRXZDJW-GHMZBOCLSA-N
XLogP1.93
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80930838
1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198767
1-(6-hydrazinyl-5-methoxypyrimidin-4-yl)pyrrolidine-3,4-diol
CID 106674660
6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80792872
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine
CID 80828858
4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine
CID 63021701
1-(6-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 18008426
[4-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidin-2-yl]hydrazine
CID 80903578
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;hydrobromide
CID 158942774
4-(2-cyclopentylpyrrolidin-1-yl)pyrimidin-5-amine
CID 79916235
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline
CID 133425208
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 82753042

Frequently Asked Questions

What is the IUPAC name of [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine (CID 102729224) is [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine is COc1c(NN)ncnc1N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine?
The InChIKey is BHGWJRBLRXZDJW-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H23N5O/c1-20-12-13(18-15)16-9-17-14(12)19-8-4-6-10-5-2-3-7-11(10)19/h9-11H,2-8,15H2,1H3,(H,16,17,18)/t10-,11-/m1/s1.
What are the key properties of [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine?
[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine has a molecular weight of 277.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methoxypyrimidin-4-yl]hydrazine is sourced from PubChem (CID 102729224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).