5-bromo-N-(2,6-dimethylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine

C16H24BrN3O2 — CID 66883456

IUPAC5-bromo-N-(2,6-dimethylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine
SMILESCC1CCCC(C)C1Nc1ncc(Br)c(OC2CCOC2)n1
InChIInChI=1S/C16H24BrN3O2/c1-10-4-3-5-11(2)14(10)19-16-18-8-13(17)15(20-16)22-12-6-7-21-9-12/h8,10-12,14H,3-7,9H2,1-2H3,(H,18,19,20)
InChIKeyTWPJHBWXGHKUJF-UHFFFAOYSA-N
MW370.29 g/mol
LogP3.64
Rot. Bonds4

About 5-bromo-N-(2,6-dimethylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine

5-bromo-N-(2,6-dimethylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine (PubChem CID 66883456) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 5-bromo-N-(2,6-dimethylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,6-dimethylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine
PubChem CID66883456
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC Name5-bromo-N-(2,6-dimethylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine
SMILESCC1CCCC(C)C1Nc1ncc(Br)c(OC2CCOC2)n1
InChIInChI=1S/C16H24BrN3O2/c1-10-4-3-5-11(2)14(10)19-16-18-8-13(17)15(20-16)22-12-6-7-21-9-12/h8,10-12,14H,3-7,9H2,1-2H3,(H,18,19,20)
InChIKeyTWPJHBWXGHKUJF-UHFFFAOYSA-N
XLogP3.64
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-dimethylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2,6-dimethylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine (CID 66883456) is 5-bromo-N-(2,6-dimethylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2,6-dimethylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2,6-dimethylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine is CC1CCCC(C)C1Nc1ncc(Br)c(OC2CCOC2)n1.
What is the InChIKey of 5-bromo-N-(2,6-dimethylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine?
The InChIKey is TWPJHBWXGHKUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-10-4-3-5-11(2)14(10)19-16-18-8-13(17)15(20-16)22-12-6-7-21-9-12/h8,10-12,14H,3-7,9H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-N-(2,6-dimethylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine?
5-bromo-N-(2,6-dimethylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine has a molecular weight of 370.29 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,6-dimethylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 66883456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).