8-chloro-[1]benzofuro[3,2-d]pyrimidine

C10H5ClN2O — CID 141392235

IUPAC8-chloro-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1ccc2oc3cncnc3c2c1
InChIInChI=1S/C10H5ClN2O/c11-6-1-2-8-7(3-6)10-9(14-8)4-12-5-13-10/h1-5H
InChIKeyLFHPKCGGSWLDMO-UHFFFAOYSA-N
MW204.62 g/mol
LogP3.03
Rot. Bonds

About 8-chloro-[1]benzofuro[3,2-d]pyrimidine

8-chloro-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 141392235) has the molecular formula C10H5ClN2O and a molecular weight of 204.62 g/mol. Its IUPAC name is 8-chloro-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-chloro-[1]benzofuro[3,2-d]pyrimidine
PubChem CID141392235
Molecular FormulaC10H5ClN2O
Molecular Weight204.62 g/mol
Exact Mass204.01
IUPAC Name8-chloro-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1ccc2oc3cncnc3c2c1
InChIInChI=1S/C10H5ClN2O/c11-6-1-2-8-7(3-6)10-9(14-8)4-12-5-13-10/h1-5H
InChIKeyLFHPKCGGSWLDMO-UHFFFAOYSA-N
XLogP3.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-8-oxa-3,5-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 609295
(R)-8-chloro-4-(3-(methylamino)pyrrolidin-1-yl)benzofuro[3,2-d]pyrimidin-2-amine
CID 16718567
8-Chloro-4-(4-methyl-piperazin-1-yl)-benzo[4,5]furo[3,2-d]pyrimidin-2-ylamine
CID 23653543
8-Chloro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24826766
N-(sec-butyl)-2-methylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 16682334
4-Chloro-2-methylbenzofuro[3,2-d]pyrimidine
CID 603361
N-Phenyl[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 621402
2-Methyl-4-morpholino[1]benzofuro[3,2-d]pyrimidine
CID 656347
4-(4-Methyl-1-piperazinyl)benzofuro[3,2-d]pyrimidine
CID 2306318
(2R)-2-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)butanoic acid
CID 7547931
N-(4-methylphenyl)-4-benzofuro[3,2-d]pyrimidinamine
CID 1398093
4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 2012115

Frequently Asked Questions

What is the IUPAC name of 8-chloro-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-chloro-[1]benzofuro[3,2-d]pyrimidine (CID 141392235) is 8-chloro-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-chloro-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-chloro-[1]benzofuro[3,2-d]pyrimidine is Clc1ccc2oc3cncnc3c2c1.
What is the InChIKey of 8-chloro-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is LFHPKCGGSWLDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O/c11-6-1-2-8-7(3-6)10-9(14-8)4-12-5-13-10/h1-5H.
What are the key properties of 8-chloro-[1]benzofuro[3,2-d]pyrimidine?
8-chloro-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 204.62 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 141392235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).