7-bromo-4-chloro-2-(oxan-4-yl)thieno[3,2-d]pyrimidine

C11H10BrClN2OS — CID 122428575

IUPAC7-bromo-4-chloro-2-(oxan-4-yl)thieno[3,2-d]pyrimidine
SMILESClc1nc(C2CCOCC2)nc2c(Br)csc12
InChIInChI=1S/C11H10BrClN2OS/c12-7-5-17-9-8(7)14-11(15-10(9)13)6-1-3-16-4-2-6/h5-6H,1-4H2
InChIKeyYXGKZNGDBKUSEQ-UHFFFAOYSA-N
MW333.64 g/mol
LogP4.00
Rot. Bonds1

About 7-bromo-4-chloro-2-(oxan-4-yl)thieno[3,2-d]pyrimidine

7-bromo-4-chloro-2-(oxan-4-yl)thieno[3,2-d]pyrimidine (PubChem CID 122428575) has the molecular formula C11H10BrClN2OS and a molecular weight of 333.64 g/mol. Its IUPAC name is 7-bromo-4-chloro-2-(oxan-4-yl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-bromo-4-chloro-2-(oxan-4-yl)thieno[3,2-d]pyrimidine
PubChem CID122428575
Molecular FormulaC11H10BrClN2OS
Molecular Weight333.64 g/mol
Exact Mass331.94
IUPAC Name7-bromo-4-chloro-2-(oxan-4-yl)thieno[3,2-d]pyrimidine
SMILESClc1nc(C2CCOCC2)nc2c(Br)csc12
InChIInChI=1S/C11H10BrClN2OS/c12-7-5-17-9-8(7)14-11(15-10(9)13)6-1-3-16-4-2-6/h5-6H,1-4H2
InChIKeyYXGKZNGDBKUSEQ-UHFFFAOYSA-N
XLogP4.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.64
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-5-cyclopentyl-2-(oxan-4-yl)pyrimidine
CID 112569454
5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine
CID 66294218
5-bromo-4-tert-butyl-6-chloro-2-(oxan-4-yl)pyrimidine
CID 66291956
4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386840
4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386473
4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 80975037
6,8-dibromo-4-chloro-2-cyclopropylquinazoline
CID 106584417
4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 62386841
4-chloro-2-(oxan-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470680
4-chloro-2-cyclopropylthieno[3,2-d]pyrimidine
CID 15055729
4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115043384
6-chloro-2-(oxan-4-yl)pyrimidin-4-amine
CID 138039841

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-2-(oxan-4-yl)thieno[3,2-d]pyrimidine?
The IUPAC name of 7-bromo-4-chloro-2-(oxan-4-yl)thieno[3,2-d]pyrimidine (CID 122428575) is 7-bromo-4-chloro-2-(oxan-4-yl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 7-bromo-4-chloro-2-(oxan-4-yl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 7-bromo-4-chloro-2-(oxan-4-yl)thieno[3,2-d]pyrimidine is Clc1nc(C2CCOCC2)nc2c(Br)csc12.
What is the InChIKey of 7-bromo-4-chloro-2-(oxan-4-yl)thieno[3,2-d]pyrimidine?
The InChIKey is YXGKZNGDBKUSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2OS/c12-7-5-17-9-8(7)14-11(15-10(9)13)6-1-3-16-4-2-6/h5-6H,1-4H2.
What are the key properties of 7-bromo-4-chloro-2-(oxan-4-yl)thieno[3,2-d]pyrimidine?
7-bromo-4-chloro-2-(oxan-4-yl)thieno[3,2-d]pyrimidine has a molecular weight of 333.64 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-2-(oxan-4-yl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 122428575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).