4,6-dibromo-2-(1-methoxypropyl)pyrimidine

C8H10Br2N2O — CID 116706768

IUPAC4,6-dibromo-2-(1-methoxypropyl)pyrimidine
SMILESCCC(OC)c1nc(Br)cc(Br)n1
InChIInChI=1S/C8H10Br2N2O/c1-3-5(13-2)8-11-6(9)4-7(10)12-8/h4-5H,3H2,1-2H3
InChIKeyBAGAFUSIPTWRKV-UHFFFAOYSA-N
MW309.99 g/mol
LogP3.10
Rot. Bonds3

About 4,6-dibromo-2-(1-methoxypropyl)pyrimidine

4,6-dibromo-2-(1-methoxypropyl)pyrimidine (PubChem CID 116706768) has the molecular formula C8H10Br2N2O and a molecular weight of 309.99 g/mol. Its IUPAC name is 4,6-dibromo-2-(1-methoxypropyl)pyrimidine.

Molecular Properties

Compound Name4,6-dibromo-2-(1-methoxypropyl)pyrimidine
PubChem CID116706768
Molecular FormulaC8H10Br2N2O
Molecular Weight309.99 g/mol
Exact Mass307.92
IUPAC Name4,6-dibromo-2-(1-methoxypropyl)pyrimidine
SMILESCCC(OC)c1nc(Br)cc(Br)n1
InChIInChI=1S/C8H10Br2N2O/c1-3-5(13-2)8-11-6(9)4-7(10)12-8/h4-5H,3H2,1-2H3
InChIKeyBAGAFUSIPTWRKV-UHFFFAOYSA-N
XLogP3.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.99
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dibromo-2-(1-ethoxybutyl)pyrimidine
CID 116706762
5-bromo-4-chloro-2-(1-methoxypropyl)-6-propan-2-ylpyrimidine
CID 116706501
5-bromo-2-(1-methoxypropyl)-6-propylpyrimidin-4-amine
CID 116729384
4-(chloromethyl)-2-(1-methoxypropyl)-6-methylpyrimidine
CID 116731439
4-tert-butyl-6-chloro-2-(1-methoxypropyl)pyrimidine
CID 116706152
4,6-dibromo-2-(1-ethoxy-2,2-dimethylpropyl)pyrimidine
CID 116706766
5-bromo-2-(1-methoxypropyl)-N-methyl-6-propylpyrimidin-4-amine
CID 116729394
[2-(1-methoxypropyl)-6-propylpyrimidin-4-yl]hydrazine
CID 116730308
[6-(methoxymethyl)-2-(1-methoxypropyl)pyrimidin-4-yl]hydrazine
CID 116730389
[2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
CID 116730454
4-bromo-1,2-bis(1-methoxypropyl)benzene
CID 68654874
2-(1-methoxypropyl)pyrimidine-5-carbaldehyde
CID 116731013

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2-(1-methoxypropyl)pyrimidine?
The IUPAC name of 4,6-dibromo-2-(1-methoxypropyl)pyrimidine (CID 116706768) is 4,6-dibromo-2-(1-methoxypropyl)pyrimidine.
What is the SMILES notation for 4,6-dibromo-2-(1-methoxypropyl)pyrimidine?
The canonical SMILES for 4,6-dibromo-2-(1-methoxypropyl)pyrimidine is CCC(OC)c1nc(Br)cc(Br)n1.
What is the InChIKey of 4,6-dibromo-2-(1-methoxypropyl)pyrimidine?
The InChIKey is BAGAFUSIPTWRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2N2O/c1-3-5(13-2)8-11-6(9)4-7(10)12-8/h4-5H,3H2,1-2H3.
What are the key properties of 4,6-dibromo-2-(1-methoxypropyl)pyrimidine?
4,6-dibromo-2-(1-methoxypropyl)pyrimidine has a molecular weight of 309.99 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2-(1-methoxypropyl)pyrimidine is sourced from PubChem (CID 116706768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).