4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine

C9H10BrClN2O — CID 130056243

IUPAC4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine
SMILESClc1nc(Br)cc(C2CCOCC2)n1
InChIInChI=1S/C9H10BrClN2O/c10-8-5-7(12-9(11)13-8)6-1-3-14-4-2-6/h5-6H,1-4H2
InChIKeySCTXRMBVNGUFJQ-UHFFFAOYSA-N
MW277.55 g/mol
LogP2.79
Rot. Bonds1

About 4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine

4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine (PubChem CID 130056243) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine.

Molecular Properties

Compound Name4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine
PubChem CID130056243
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC Name4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine
SMILESClc1nc(Br)cc(C2CCOCC2)n1
InChIInChI=1S/C9H10BrClN2O/c10-8-5-7(12-9(11)13-8)6-1-3-14-4-2-6/h5-6H,1-4H2
InChIKeySCTXRMBVNGUFJQ-UHFFFAOYSA-N
XLogP2.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-6-cyclopropylpyrimidine
CID 130056238
2-chloro-4-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine
CID 132564090
4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine
CID 63352862
2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine
CID 122239001
3-chloro-6-(oxan-4-yl)pyridazin-4-amine
CID 117105134
2-chloro-6-(oxan-4-yl)pyridin-3-amine
CID 115028136
3-chloro-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 65334530
2-chloro-4-cyclopropyl-6-(fluoromethyl)pyrimidine
CID 19804675
2-bromo-4-chloro-6-cyclopropylpyrimidine
CID 130067681
7-bromo-2-(oxan-4-yl)imidazo[1,2-a]pyridine
CID 117133635
4-(2-chloro-6-cyclopropylpyrimidin-4-yl)-3,3-dimethylmorpholine
CID 175762310
4-(5-bromo-2-chlorophenyl)oxane
CID 172993362

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine?
The IUPAC name of 4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine (CID 130056243) is 4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine.
What is the SMILES notation for 4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine?
The canonical SMILES for 4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine is Clc1nc(Br)cc(C2CCOCC2)n1.
What is the InChIKey of 4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine?
The InChIKey is SCTXRMBVNGUFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O/c10-8-5-7(12-9(11)13-8)6-1-3-14-4-2-6/h5-6H,1-4H2.
What are the key properties of 4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine?
4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine has a molecular weight of 277.55 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-(oxan-4-yl)pyrimidine is sourced from PubChem (CID 130056243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).