4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane

C18H35N3O — CID 143641692

IUPAC4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane
SMILESCC.CCC.Cc1cc(C)nc(N2CCOCC(C)(C)C2)n1
InChIInChI=1S/C13H21N3O.C3H8.C2H6/c1-10-7-11(2)15-12(14-10)16-5-6-17-9-13(3,4)8-16;1-3-2;1-2/h7H,5-6,8-9H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyFETFKHQLPJMHEB-UHFFFAOYSA-N
MW309.50 g/mol
LogP4.40
Rot. Bonds1

About 4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane

4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane (PubChem CID 143641692) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is 4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane.

Molecular Properties

Compound Name4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane
PubChem CID143641692
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane
SMILESCC.CCC.Cc1cc(C)nc(N2CCOCC(C)(C)C2)n1
InChIInChI=1S/C13H21N3O.C3H8.C2H6/c1-10-7-11(2)15-12(14-10)16-5-6-17-9-13(3,4)8-16;1-3-2;1-2/h7H,5-6,8-9H2,1-4H3;3H2,1-2H3;1-2H3
InChIKeyFETFKHQLPJMHEB-UHFFFAOYSA-N
XLogP4.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane with MolForge

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Related Compounds

2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine
CID 143641703
4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine
CID 143641707
7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 71971617
4-(4-cyclobutyl-6-methylpyrimidin-2-yl)-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-6-ol
CID 70726777
4-[2-iodo-6-(4,6,6-trimethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-6,6-dimethyl-1,4-oxazepane
CID 163742135
[2-(2,2-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541667
2-(3,3-difluoroazetidin-1-yl)-4,6-dimethylpyrimidine
CID 122269420
1-(4,6-dimethylpyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63146887
4-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 133364977
1-(4,6-dimethylpyrimidin-2-yl)-3,3-dimethylpiperidin-4-amine
CID 114267758
N-(2-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912314
N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324267

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane?
The IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane (CID 143641692) is 4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane.
What is the SMILES notation for 4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane?
The canonical SMILES for 4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane is CC.CCC.Cc1cc(C)nc(N2CCOCC(C)(C)C2)n1.
What is the InChIKey of 4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane?
The InChIKey is FETFKHQLPJMHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.C3H8.C2H6/c1-10-7-11(2)15-12(14-10)16-5-6-17-9-13(3,4)8-16;1-3-2;1-2/h7H,5-6,8-9H2,1-4H3;3H2,1-2H3;1-2H3.
What are the key properties of 4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane?
4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane has a molecular weight of 309.50 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane is sourced from PubChem (CID 143641692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).