4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine

C14H11ClN2O2 — CID 99987817

IUPAC4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1nc([C@H]2CCCO2)nc2c1oc1ccccc12
InChIInChI=1S/C14H11ClN2O2/c15-13-12-11(8-4-1-2-5-9(8)19-12)16-14(17-13)10-6-3-7-18-10/h1-2,4-5,10H,3,6-7H2/t10-/m1/s1
InChIKeyHELRCJRWESLSOG-SNVBAGLBSA-N
MW274.71 g/mol
LogP3.88
Rot. Bonds1

About 4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine

4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 99987817) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID99987817
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1nc([C@H]2CCCO2)nc2c1oc1ccccc12
InChIInChI=1S/C14H11ClN2O2/c15-13-12-11(8-4-1-2-5-9(8)19-12)16-14(17-13)10-6-3-7-18-10/h1-2,4-5,10H,3,6-7H2/t10-/m1/s1
InChIKeyHELRCJRWESLSOG-SNVBAGLBSA-N
XLogP3.88
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1414940
N-(sec-butyl)-2-methylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 16682334
N-(3-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1399676
4-Chloro-2-methylbenzofuro[3,2-d]pyrimidine
CID 603361
2-Methyl-4-morpholino[1]benzofuro[3,2-d]pyrimidine
CID 656347
N-(2-fluorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1400652
N-(4-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2068417
3-fluoro-N-[(4E)-2-methyl[1]benzofuro[3,2-d]pyrimidin-4(3H)-ylidene]aniline
CID 2068835

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 99987817) is 4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine is Clc1nc([C@H]2CCCO2)nc2c1oc1ccccc12.
What is the InChIKey of 4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is HELRCJRWESLSOG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-13-12-11(8-4-1-2-5-9(8)19-12)16-14(17-13)10-6-3-7-18-10/h1-2,4-5,10H,3,6-7H2/t10-/m1/s1.
What are the key properties of 4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 274.71 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2R)-oxolan-2-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 99987817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).