5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine

C16H26BrN3O — CID 66298196

IUPAC5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCC(C(C)(C)C)CC2)nc(N)c1Br
InChIInChI=1S/C16H26BrN3O/c1-16(2,3)11-7-5-10(6-8-11)15-19-12(9-21-4)13(17)14(18)20-15/h10-11H,5-9H2,1-4H3,(H2,18,19,20)
InChIKeyMQCILKZUBMWDFS-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.29
Rot. Bonds3

About 5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine

5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 66298196) has the molecular formula C16H26BrN3O and a molecular weight of 356.31 g/mol. Its IUPAC name is 5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID66298196
Molecular FormulaC16H26BrN3O
Molecular Weight356.31 g/mol
Exact Mass355.13
IUPAC Name5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCC(C(C)(C)C)CC2)nc(N)c1Br
InChIInChI=1S/C16H26BrN3O/c1-16(2,3)11-7-5-10(6-8-11)15-19-12(9-21-4)13(17)14(18)20-15/h10-11H,5-9H2,1-4H3,(H2,18,19,20)
InChIKeyMQCILKZUBMWDFS-UHFFFAOYSA-N
XLogP4.29
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine (CID 66298196) is 5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine is COCc1nc(C2CCC(C(C)(C)C)CC2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is MQCILKZUBMWDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3O/c1-16(2,3)11-7-5-10(6-8-11)15-19-12(9-21-4)13(17)14(18)20-15/h10-11H,5-9H2,1-4H3,(H2,18,19,20).
What are the key properties of 5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine?
5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 356.31 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 66298196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).