(6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine

C16H25N3O — CID 96536455

IUPAC(6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine
SMILESC[C@@H]1CN(c2ncnc3c2CCCCC3)CC(C)(C)O1
InChIInChI=1S/C16H25N3O/c1-12-9-19(10-16(2,3)20-12)15-13-7-5-4-6-8-14(13)17-11-18-15/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyHIZVXFGBKAGFEM-GFCCVEGCSA-N
MW275.40 g/mol
LogP2.75
Rot. Bonds1

About (6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine

(6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine (PubChem CID 96536455) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine
PubChem CID96536455
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine
SMILESC[C@@H]1CN(c2ncnc3c2CCCCC3)CC(C)(C)O1
InChIInChI=1S/C16H25N3O/c1-12-9-19(10-16(2,3)20-12)15-13-7-5-4-6-8-14(13)17-11-18-15/h11-12H,4-10H2,1-3H3/t12-/m1/s1
InChIKeyHIZVXFGBKAGFEM-GFCCVEGCSA-N
XLogP2.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine?
The IUPAC name of (6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine (CID 96536455) is (6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for (6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine?
The canonical SMILES for (6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine is C[C@@H]1CN(c2ncnc3c2CCCCC3)CC(C)(C)O1.
What is the InChIKey of (6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine?
The InChIKey is HIZVXFGBKAGFEM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-9-19(10-16(2,3)20-12)15-13-7-5-4-6-8-14(13)17-11-18-15/h11-12H,4-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine?
(6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine has a molecular weight of 275.40 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 96536455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).