5-bromo-2-(5-methyloxolan-2-yl)pyrimidin-4-amine

C9H12BrN3O — CID 82839944

IUPAC5-bromo-2-(5-methyloxolan-2-yl)pyrimidin-4-amine
SMILESCC1CCC(c2ncc(Br)c(N)n2)O1
InChIInChI=1S/C9H12BrN3O/c1-5-2-3-7(14-5)9-12-4-6(10)8(11)13-9/h4-5,7H,2-3H2,1H3,(H2,11,12,13)
InChIKeyNIVCUVLLBFZSEX-UHFFFAOYSA-N
MW258.12 g/mol
LogP2.06
Rot. Bonds1

About 5-bromo-2-(5-methyloxolan-2-yl)pyrimidin-4-amine

5-bromo-2-(5-methyloxolan-2-yl)pyrimidin-4-amine (PubChem CID 82839944) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 5-bromo-2-(5-methyloxolan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5-methyloxolan-2-yl)pyrimidin-4-amine
PubChem CID82839944
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name5-bromo-2-(5-methyloxolan-2-yl)pyrimidin-4-amine
SMILESCC1CCC(c2ncc(Br)c(N)n2)O1
InChIInChI=1S/C9H12BrN3O/c1-5-2-3-7(14-5)9-12-4-6(10)8(11)13-9/h4-5,7H,2-3H2,1H3,(H2,11,12,13)
InChIKeyNIVCUVLLBFZSEX-UHFFFAOYSA-N
XLogP2.06
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-methyloxolan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(5-methyloxolan-2-yl)pyrimidin-4-amine (CID 82839944) is 5-bromo-2-(5-methyloxolan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(5-methyloxolan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(5-methyloxolan-2-yl)pyrimidin-4-amine is CC1CCC(c2ncc(Br)c(N)n2)O1.
What is the InChIKey of 5-bromo-2-(5-methyloxolan-2-yl)pyrimidin-4-amine?
The InChIKey is NIVCUVLLBFZSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-5-2-3-7(14-5)9-12-4-6(10)8(11)13-9/h4-5,7H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of 5-bromo-2-(5-methyloxolan-2-yl)pyrimidin-4-amine?
5-bromo-2-(5-methyloxolan-2-yl)pyrimidin-4-amine has a molecular weight of 258.12 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-methyloxolan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 82839944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).