4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine

C12H9ClN2O — CID 10561592

IUPAC4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESClc1nc(-c2ccccc2)nc2c1CCO2
InChIInChI=1S/C12H9ClN2O/c13-10-9-6-7-16-12(9)15-11(14-10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyBBRGQGFQHQPRBA-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.73
Rot. Bonds1

About 4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine

4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine (PubChem CID 10561592) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine
PubChem CID10561592
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESClc1nc(-c2ccccc2)nc2c1CCO2
InChIInChI=1S/C12H9ClN2O/c13-10-9-6-7-16-12(9)15-11(14-10)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyBBRGQGFQHQPRBA-UHFFFAOYSA-N
XLogP2.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 24827747
6-chloro-4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene
CID 86298634
4-(4-chlorophenyl)-2,3-dihydrofuro[2,3-b]quinoline
CID 132600230
4-chloro-2-phenyl-5,6-dihydrothieno[2,3-d]pyrimidine
CID 13103660
4-chloro-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115045658
4-chloro-5,6-dihydrofuro[2,3-d]pyrimidine
CID 83668197
6-chloro-2,3-dihydro-1H-pyrano[2,3-c]isoquinoline
CID 90101355
4-chloro-5-ethyl-6-methylsulfanyl-2-phenylpyrimidine
CID 176849205
4-chloro-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 174166624
4-(4-bromophenyl)-2,3-dihydrofuro[2,3-b]quinoline
CID 132600231
6-chloro-4-(2-chlorophenyl)-2,3-dihydrofuro[2,3-b]quinoline
CID 51031204
4-chloro-8-fluoro-2-phenylquinazoline
CID 114590404

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine (CID 10561592) is 4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine is Clc1nc(-c2ccccc2)nc2c1CCO2.
What is the InChIKey of 4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The InChIKey is BBRGQGFQHQPRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-10-9-6-7-16-12(9)15-11(14-10)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine?
4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine has a molecular weight of 232.67 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine is sourced from PubChem (CID 10561592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).