5-bromo-4-cyclobutyloxypyrimidin-2-amine

C8H10BrN3O — CID 80872179

IUPAC5-bromo-4-cyclobutyloxypyrimidin-2-amine
SMILESNc1ncc(Br)c(OC2CCC2)n1
InChIInChI=1S/C8H10BrN3O/c9-6-4-11-8(10)12-7(6)13-5-2-1-3-5/h4-5H,1-3H2,(H2,10,11,12)
InChIKeyPKXMFINXNZEFRX-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.75
Rot. Bonds2

About 5-bromo-4-cyclobutyloxypyrimidin-2-amine

5-bromo-4-cyclobutyloxypyrimidin-2-amine (PubChem CID 80872179) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 5-bromo-4-cyclobutyloxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-cyclobutyloxypyrimidin-2-amine
PubChem CID80872179
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name5-bromo-4-cyclobutyloxypyrimidin-2-amine
SMILESNc1ncc(Br)c(OC2CCC2)n1
InChIInChI=1S/C8H10BrN3O/c9-6-4-11-8(10)12-7(6)13-5-2-1-3-5/h4-5H,1-3H2,(H2,10,11,12)
InChIKeyPKXMFINXNZEFRX-UHFFFAOYSA-N
XLogP1.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-4-(neopentyloxy)pyrimidin-2-amine
CID 122516792
5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine
CID 818851
5-Bromo-4-methoxypyrimidine
CID 12270081
5-Bromo-2,4-dimethoxypyrimidine
CID 255719
5-Bromo-2-chloro-4-methoxypyrimidine
CID 3663143
2-Amino-5-bromo-4-methoxypyrimidine
CID 45036937
5-Bromo-2-chloro-4-(propan-2-yloxy)pyrimidine
CID 79076021
5-Bromo-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 60155907
5-Bromo-4-(2,2-difluoroethoxy)-2-methylpyrimidine
CID 130644863
5-Bromo-2-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine
CID 131139115
5-Bromo-2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)pyrimidine
CID 176432380
5-Bromo-2,4-diethoxypyrimidine
CID 14776516

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclobutyloxypyrimidin-2-amine?
The IUPAC name of 5-bromo-4-cyclobutyloxypyrimidin-2-amine (CID 80872179) is 5-bromo-4-cyclobutyloxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-cyclobutyloxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-cyclobutyloxypyrimidin-2-amine is Nc1ncc(Br)c(OC2CCC2)n1.
What is the InChIKey of 5-bromo-4-cyclobutyloxypyrimidin-2-amine?
The InChIKey is PKXMFINXNZEFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c9-6-4-11-8(10)12-7(6)13-5-2-1-3-5/h4-5H,1-3H2,(H2,10,11,12).
What are the key properties of 5-bromo-4-cyclobutyloxypyrimidin-2-amine?
5-bromo-4-cyclobutyloxypyrimidin-2-amine has a molecular weight of 244.09 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclobutyloxypyrimidin-2-amine is sourced from PubChem (CID 80872179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).