2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine

C18H11ClN2O — CID 118682599

IUPAC2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine
SMILESClc1nc(-c2cccc(-c3ccccc3)c2)c2occc2n1
InChIInChI=1S/C18H11ClN2O/c19-18-20-15-9-10-22-17(15)16(21-18)14-8-4-7-13(11-14)12-5-2-1-3-6-12/h1-11H
InChIKeyLBTFFDNCIBXTEQ-UHFFFAOYSA-N
MW306.75 g/mol
LogP5.21
Rot. Bonds2

About 2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine

2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine (PubChem CID 118682599) has the molecular formula C18H11ClN2O and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine
PubChem CID118682599
Molecular FormulaC18H11ClN2O
Molecular Weight306.75 g/mol
Exact Mass306.06
IUPAC Name2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine
SMILESClc1nc(-c2cccc(-c3ccccc3)c2)c2occc2n1
InChIInChI=1S/C18H11ClN2O/c19-18-20-15-9-10-22-17(15)16(21-18)14-8-4-7-13(11-14)12-5-2-1-3-6-12/h1-11H
InChIKeyLBTFFDNCIBXTEQ-UHFFFAOYSA-N
XLogP5.21
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.75
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-phenylfuro[3,2-d]pyrimidine
CID 118682597
2-chloro-4-(3-phenylphenyl)furo[2,3-d]pyrimidine
CID 118682601
2-chloro-4-(3-phenylphenyl)pyrido[2,3-d]pyrimidine
CID 118874953
2-chloro-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 118544103
2-chloro-4-[3-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122490040
2,3-bis(3-phenylphenyl)quinoxaline
CID 154589163
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline
CID 139327756
2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118233853
2-chloro-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166022200
2-chloro-4-dibenzofuran-4-ylquinazoline
CID 89282885
4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-2-phenylquinazoline
CID 126579137

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine (CID 118682599) is 2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine is Clc1nc(-c2cccc(-c3ccccc3)c2)c2occc2n1.
What is the InChIKey of 2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine?
The InChIKey is LBTFFDNCIBXTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O/c19-18-20-15-9-10-22-17(15)16(21-18)14-8-4-7-13(11-14)12-5-2-1-3-6-12/h1-11H.
What are the key properties of 2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine?
2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine has a molecular weight of 306.75 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine is sourced from PubChem (CID 118682599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).