2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane

C9H16N2O — CID 92569243

IUPAC2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane
SMILESC1=CO[C@@H](C2NCCCN2)CC1
InChIInChI=1S/C9H16N2O/c1-2-7-12-8(4-1)9-10-5-3-6-11-9/h2,7-11H,1,3-6H2/t8-/m1/s1
InChIKeyCWSPAGFROOSMFX-MRVPVSSYSA-N
MW168.24 g/mol
LogP0.59
Rot. Bonds1

About 2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane

2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane (PubChem CID 92569243) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane.

Molecular Properties

Compound Name2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane
PubChem CID92569243
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane
SMILESC1=CO[C@@H](C2NCCCN2)CC1
InChIInChI=1S/C9H16N2O/c1-2-7-12-8(4-1)9-10-5-3-6-11-9/h2,7-11H,1,3-6H2/t8-/m1/s1
InChIKeyCWSPAGFROOSMFX-MRVPVSSYSA-N
XLogP0.59
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-pyran-2-yl)-4,4,6-trimethyl-1,3-diazinane
CID 239648
2-(3,4-dihydro-2H-pyran-2-yl)-1,3-diazinane;hydrochloride
CID 24190934
N-(2,3-dihydrofuran-2-ylmethyl)-N'-(1-methylpiperidin-4-yl)methanediamine
CID 143176493
2-(3,4-dihydro-2H-pyran-2-yl)-1,3-diazinane
CID 419650
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 55030686
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-propylpiperidin-4-amine
CID 55030783
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 62064242
1-cyclopropyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine
CID 62064402
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethylpiperidin-4-amine
CID 62064425
1-butyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-4-amine
CID 62064573
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-piperidin-1-ylpropan-1-amine
CID 62064706
N'-(3,4-dihydro-2H-pyran-2-ylmethyl)propane-1,3-diamine
CID 62064743

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane?
The IUPAC name of 2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane (CID 92569243) is 2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane.
What is the SMILES notation for 2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane?
The canonical SMILES for 2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane is C1=CO[C@@H](C2NCCCN2)CC1.
What is the InChIKey of 2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane?
The InChIKey is CWSPAGFROOSMFX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-7-12-8(4-1)9-10-5-3-6-11-9/h2,7-11H,1,3-6H2/t8-/m1/s1.
What are the key properties of 2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane?
2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane has a molecular weight of 168.24 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane is sourced from PubChem (CID 92569243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).