4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane

C18H27N3O3 — CID 124926737

IUPAC4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane
SMILESC1=CO[C@H](C2NC([C@H]3CCC=CO3)NC([C@H]3CCC=CO3)N2)CC1
InChIInChI=1S/C18H27N3O3/c1-4-10-22-13(7-1)16-19-17(14-8-2-5-11-23-14)21-18(20-16)15-9-3-6-12-24-15/h4-6,10-21H,1-3,7-9H2/t13-,14-,15+,16?,17?,18?/m1/s1
InChIKeyLDQSSOXKHWNDPH-WWESSHLVSA-N
MW333.43 g/mol
LogP1.83
Rot. Bonds3

About 4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane

4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane (PubChem CID 124926737) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane.

Molecular Properties

Compound Name4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane
PubChem CID124926737
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane
SMILESC1=CO[C@H](C2NC([C@H]3CCC=CO3)NC([C@H]3CCC=CO3)N2)CC1
InChIInChI=1S/C18H27N3O3/c1-4-10-22-13(7-1)16-19-17(14-8-2-5-11-23-14)21-18(20-16)15-9-3-6-12-24-15/h4-6,10-21H,1-3,7-9H2/t13-,14-,15+,16?,17?,18?/m1/s1
InChIKeyLDQSSOXKHWNDPH-WWESSHLVSA-N
XLogP1.83
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane with MolForge

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Related Compounds

2-(3,4-dihydro-2H-pyran-2-yl)-1,3-diazinane;hydrochloride
CID 24190934
2-(3,4-dihydro-2H-pyran-2-yl)-1,3-diazinane
CID 419650
2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane
CID 92569095
2-[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3-diazinane
CID 92569243
6-[(2R)-3,4-dihydro-2H-pyran-2-yl]-2,4-bis[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane
CID 124926735
2,4,6-tris[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane
CID 124926736
2,4,6-tris[(2R)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane
CID 124926738
2,4,6-Tris(3,4-dihydro-2H-pyran-2-YL)-1,3,5-triazinane
CID 132988175

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane?
The IUPAC name of 4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane (CID 124926737) is 4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane.
What is the SMILES notation for 4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane?
The canonical SMILES for 4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane is C1=CO[C@H](C2NC([C@H]3CCC=CO3)NC([C@H]3CCC=CO3)N2)CC1.
What is the InChIKey of 4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane?
The InChIKey is LDQSSOXKHWNDPH-WWESSHLVSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-10-22-13(7-1)16-19-17(14-8-2-5-11-23-14)21-18(20-16)15-9-3-6-12-24-15/h4-6,10-21H,1-3,7-9H2/t13-,14-,15+,16?,17?,18?/m1/s1.
What are the key properties of 4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane?
4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane has a molecular weight of 333.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(2R)-3,4-dihydro-2H-pyran-2-yl]-2-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1,3,5-triazinane is sourced from PubChem (CID 124926737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).