5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine

C11H17BrN2O2 — CID 106999391

IUPAC5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine
SMILESCCCC(C)COc1ncc(Br)c(OC)n1
InChIInChI=1S/C11H17BrN2O2/c1-4-5-8(2)7-16-11-13-6-9(12)10(14-11)15-3/h6,8H,4-5,7H2,1-3H3
InChIKeyGRWKVKVKLHWUIV-UHFFFAOYSA-N
MW289.17 g/mol
LogP3.06
Rot. Bonds6

About 5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine

5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine (PubChem CID 106999391) has the molecular formula C11H17BrN2O2 and a molecular weight of 289.17 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine
PubChem CID106999391
Molecular FormulaC11H17BrN2O2
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC Name5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine
SMILESCCCC(C)COc1ncc(Br)c(OC)n1
InChIInChI=1S/C11H17BrN2O2/c1-4-5-8(2)7-16-11-13-6-9(12)10(14-11)15-3/h6,8H,4-5,7H2,1-3H3
InChIKeyGRWKVKVKLHWUIV-UHFFFAOYSA-N
XLogP3.06
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-cyclobutoxypyrimidin-2-amine
CID 80872179
5-Bromo-2,4-diethoxypyrimidine
CID 14776516
2,4-Dimethoxy-5-(tributylstannyl)pyrimidine
CID 58719737
5-Bromo-2,4-di(isopropoxy)pyrimidine
CID 67514127
2,4-Di(n-butoxy)-5-fluoropyrimidine
CID 13061613
5-Bromo-2,4-bis-(4,4,4-trifluorobutoxy)pyrimidine
CID 21114627

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine?
The IUPAC name of 5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine (CID 106999391) is 5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine.
What is the SMILES notation for 5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine?
The canonical SMILES for 5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine is CCCC(C)COc1ncc(Br)c(OC)n1.
What is the InChIKey of 5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine?
The InChIKey is GRWKVKVKLHWUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2/c1-4-5-8(2)7-16-11-13-6-9(12)10(14-11)15-3/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine?
5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine has a molecular weight of 289.17 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2-(2-methylpentoxy)pyrimidine is sourced from PubChem (CID 106999391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).