6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine

C17H29N3O — CID 116775622

IUPAC6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine
SMILESCOC1(c2nc(N)cc(C(C)(C)C)n2)CCC(C)(C)CC1
InChIInChI=1S/C17H29N3O/c1-15(2,3)12-11-13(18)20-14(19-12)17(21-6)9-7-16(4,5)8-10-17/h11H,7-10H2,1-6H3,(H2,18,19,20)
InChIKeyXMPNLVGGJSYDLL-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.80
Rot. Bonds2

About 6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine

6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine (PubChem CID 116775622) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine
PubChem CID116775622
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine
SMILESCOC1(c2nc(N)cc(C(C)(C)C)n2)CCC(C)(C)CC1
InChIInChI=1S/C17H29N3O/c1-15(2,3)12-11-13(18)20-14(19-12)17(21-6)9-7-16(4,5)8-10-17/h11H,7-10H2,1-6H3,(H2,18,19,20)
InChIKeyXMPNLVGGJSYDLL-UHFFFAOYSA-N
XLogP3.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine (CID 116775622) is 6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine is COC1(c2nc(N)cc(C(C)(C)C)n2)CCC(C)(C)CC1.
What is the InChIKey of 6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine?
The InChIKey is XMPNLVGGJSYDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-15(2,3)12-11-13(18)20-14(19-12)17(21-6)9-7-16(4,5)8-10-17/h11H,7-10H2,1-6H3,(H2,18,19,20).
What are the key properties of 6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine?
6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 116775622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).