5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine

C14H23BrN2O — CID 146376749

IUPAC5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine
SMILESCCCCCC(C)(CC)c1nc(OC)ncc1Br
InChIInChI=1S/C14H23BrN2O/c1-5-7-8-9-14(3,6-2)12-11(15)10-16-13(17-12)18-4/h10H,5-9H2,1-4H3
InChIKeyTXBMAAYIRXLFSM-UHFFFAOYSA-N
MW315.25 g/mol
LogP4.50
Rot. Bonds7

About 5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine

5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine (PubChem CID 146376749) has the molecular formula C14H23BrN2O and a molecular weight of 315.25 g/mol. Its IUPAC name is 5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine
PubChem CID146376749
Molecular FormulaC14H23BrN2O
Molecular Weight315.25 g/mol
Exact Mass314.10
IUPAC Name5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine
SMILESCCCCCC(C)(CC)c1nc(OC)ncc1Br
InChIInChI=1S/C14H23BrN2O/c1-5-7-8-9-14(3,6-2)12-11(15)10-16-13(17-12)18-4/h10H,5-9H2,1-4H3
InChIKeyTXBMAAYIRXLFSM-UHFFFAOYSA-N
XLogP4.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-3-(3-methyloctan-3-yl)pyrazine
CID 146376762
2-bromo-5-fluoro-3-(3-methyloctan-3-yl)pyrazine
CID 146377530
5-chloro-4-methoxy-6-(3-methyloctan-3-yl)pyrimidine
CID 146377305
4-bromo-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377921
5-bromo-2-methoxy-4-methylpyrimidine
CID 51401365
2-bromo-5-methoxy-4-(5-methyldodecan-5-yl)-1,3-oxazole
CID 146378252
4,5-difluoro-6-(3-methyloctan-3-yl)pyrimidine
CID 146377311
2-fluoro-6-(3-methyloctan-3-yl)pyrazine
CID 146377439
2-(5-chloro-2-methoxypyrimidin-4-yl)butan-2-amine
CID 130545438
5-chloro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine
CID 146377317
5-bromo-2-(2-butoxyethoxy)-4-methoxypyrimidine
CID 106999157
2-(3-methylnonan-3-yl)pyrazine
CID 139342316

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine?
The IUPAC name of 5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine (CID 146376749) is 5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine is CCCCCC(C)(CC)c1nc(OC)ncc1Br.
What is the InChIKey of 5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine?
The InChIKey is TXBMAAYIRXLFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-5-7-8-9-14(3,6-2)12-11(15)10-16-13(17-12)18-4/h10H,5-9H2,1-4H3.
What are the key properties of 5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine?
5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine has a molecular weight of 315.25 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-4-(3-methyloctan-3-yl)pyrimidine is sourced from PubChem (CID 146376749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).