[2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine

C14H22N4O — CID 63740201

IUPAC[2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C2CCCOC2)nc2c1CCCCC2
InChIInChI=1S/C14H22N4O/c15-18-14-11-6-2-1-3-7-12(11)16-13(17-14)10-5-4-8-19-9-10/h10H,1-9,15H2,(H,16,17,18)
InChIKeyWHVLUTUGVWRAGX-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.93
Rot. Bonds2

About [2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine

[2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine (PubChem CID 63740201) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is [2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
PubChem CID63740201
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name[2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(C2CCCOC2)nc2c1CCCCC2
InChIInChI=1S/C14H22N4O/c15-18-14-11-6-2-1-3-7-12(11)16-13(17-14)10-5-4-8-19-9-10/h10H,1-9,15H2,(H,16,17,18)
InChIKeyWHVLUTUGVWRAGX-UHFFFAOYSA-N
XLogP1.93
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[2-(oxan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 63741787
[2-(oxolan-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62312919
[2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62385407
2-(oxan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 55241641
[2-(oxan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83201096
N-methyl-2-(oxan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472179
[10-(oxan-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine
CID 65334127
[2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473502
[2-(5-methyloxolan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 82839401
[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
CID 79961342
(2-fluoro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)hydrazine
CID 142163841
2-cyclopentyl-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63486512

Frequently Asked Questions

What is the IUPAC name of [2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine (CID 63740201) is [2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine is NNc1nc(C2CCCOC2)nc2c1CCCCC2.
What is the InChIKey of [2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is WHVLUTUGVWRAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-18-14-11-6-2-1-3-7-12(11)16-13(17-14)10-5-4-8-19-9-10/h10H,1-9,15H2,(H,16,17,18).
What are the key properties of [2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
[2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 262.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63740201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).