4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine

C12H20N4O — CID 143641707

IUPAC4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCOCC(C)(C)C2)nc(N)n1
InChIInChI=1S/C12H20N4O/c1-9-6-10(15-11(13)14-9)16-4-5-17-8-12(2,3)7-16/h6H,4-5,7-8H2,1-3H3,(H2,13,14,15)
InChIKeyHEXHGJRBVGFQKR-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.23
Rot. Bonds1

About 4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine

4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine (PubChem CID 143641707) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine
PubChem CID143641707
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCOCC(C)(C)C2)nc(N)n1
InChIInChI=1S/C12H20N4O/c1-9-6-10(15-11(13)14-9)16-4-5-17-8-12(2,3)7-16/h6H,4-5,7-8H2,1-3H3,(H2,13,14,15)
InChIKeyHEXHGJRBVGFQKR-UHFFFAOYSA-N
XLogP1.23
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,6-dimethylpyrimidin-2-yl)-6,6-dimethyl-1,4-oxazepane;ethane;propane
CID 143641692
4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 154838178
2-(6,6-dimethyl-1,4-oxazepan-4-yl)-N,6-dimethylpyrimidin-4-amine
CID 143641703
4-[2-iodo-6-(4,6,6-trimethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-6,6-dimethyl-1,4-oxazepane
CID 163742135
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
4-(2-ethylmorpholin-4-yl)-6-methylpyrimidin-2-amine
CID 112726117
4-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80829127
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine
CID 78928279
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-yl]-dimethylazanium chloride
CID 139084866
4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 80834015
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312

Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine (CID 143641707) is 4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCOCC(C)(C)C2)nc(N)n1.
What is the InChIKey of 4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine?
The InChIKey is HEXHGJRBVGFQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-6-10(15-11(13)14-9)16-4-5-17-8-12(2,3)7-16/h6H,4-5,7-8H2,1-3H3,(H2,13,14,15).
What are the key properties of 4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine?
4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 143641707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).