(4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine

C15H24N4O2 — CID 154844791

IUPAC(4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine
SMILESCC1(C)CN(c2ncnc(C(C)(C)C)n2)[C@@H]2COC[C@H]2O1
InChIInChI=1S/C15H24N4O2/c1-14(2,3)12-16-9-17-13(18-12)19-8-15(4,5)21-11-7-20-6-10(11)19/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1
InChIKeySMSJGZBEEBKKKA-GHMZBOCLSA-N
MW292.38 g/mol
LogP1.55
Rot. Bonds1

About (4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine

(4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine (PubChem CID 154844791) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name(4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine
PubChem CID154844791
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine
SMILESCC1(C)CN(c2ncnc(C(C)(C)C)n2)[C@@H]2COC[C@H]2O1
InChIInChI=1S/C15H24N4O2/c1-14(2,3)12-16-9-17-13(18-12)19-8-15(4,5)21-11-7-20-6-10(11)19/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1
InChIKeySMSJGZBEEBKKKA-GHMZBOCLSA-N
XLogP1.55
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine?
The IUPAC name of (4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine (CID 154844791) is (4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine.
What is the SMILES notation for (4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine?
The canonical SMILES for (4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine is CC1(C)CN(c2ncnc(C(C)(C)C)n2)[C@@H]2COC[C@H]2O1.
What is the InChIKey of (4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine?
The InChIKey is SMSJGZBEEBKKKA-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-14(2,3)12-16-9-17-13(18-12)19-8-15(4,5)21-11-7-20-6-10(11)19/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1.
What are the key properties of (4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine?
(4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine has a molecular weight of 292.38 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aS)-4-(4-tert-butyl-1,3,5-triazin-2-yl)-2,2-dimethyl-4a,5,7,7a-tetrahydro-3H-furo[3,4-b][1,4]oxazine is sourced from PubChem (CID 154844791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).