2-chloro-4-phenylfuro[3,2-d]pyrimidine

C12H7ClN2O — CID 118682597

IUPAC2-chloro-4-phenylfuro[3,2-d]pyrimidine
SMILESClc1nc(-c2ccccc2)c2occc2n1
InChIInChI=1S/C12H7ClN2O/c13-12-14-9-6-7-16-11(9)10(15-12)8-4-2-1-3-5-8/h1-7H
InChIKeyCONYZOGVLYRDAH-UHFFFAOYSA-N
MW230.65 g/mol
LogP3.54
Rot. Bonds1

About 2-chloro-4-phenylfuro[3,2-d]pyrimidine

2-chloro-4-phenylfuro[3,2-d]pyrimidine (PubChem CID 118682597) has the molecular formula C12H7ClN2O and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-chloro-4-phenylfuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-phenylfuro[3,2-d]pyrimidine
PubChem CID118682597
Molecular FormulaC12H7ClN2O
Molecular Weight230.65 g/mol
Exact Mass230.02
IUPAC Name2-chloro-4-phenylfuro[3,2-d]pyrimidine
SMILESClc1nc(-c2ccccc2)c2occc2n1
InChIInChI=1S/C12H7ClN2O/c13-12-14-9-6-7-16-11(9)10(15-12)8-4-2-1-3-5-8/h1-7H
InChIKeyCONYZOGVLYRDAH-UHFFFAOYSA-N
XLogP3.54
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(3-phenylphenyl)furo[3,2-d]pyrimidine
CID 118682599
2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine
CID 88869157
2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline
CID 139327756
2-chloro-4-(4-methylphenyl)quinazoline
CID 3122268
15-chloro-13-phenyl-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 118551545
4-(4-methylphenyl)furo[2,3-c]quinoline
CID 166570103
2-chloro-4-(3-phenylphenyl)furo[2,3-d]pyrimidine
CID 118682601
2-chloro-4-dibenzofuran-4-ylquinazoline
CID 89282885
2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 118543898
2-chloro-5-phenoxy-4,6-diphenylpyrimidine
CID 13327262
2-chloro-4-[4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]quinazoline
CID 118545869
2-chloro-4-(4-phenanthren-9-ylphenyl)quinazoline
CID 142505066

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-phenylfuro[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-4-phenylfuro[3,2-d]pyrimidine (CID 118682597) is 2-chloro-4-phenylfuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-phenylfuro[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-4-phenylfuro[3,2-d]pyrimidine is Clc1nc(-c2ccccc2)c2occc2n1.
What is the InChIKey of 2-chloro-4-phenylfuro[3,2-d]pyrimidine?
The InChIKey is CONYZOGVLYRDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O/c13-12-14-9-6-7-16-11(9)10(15-12)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-chloro-4-phenylfuro[3,2-d]pyrimidine?
2-chloro-4-phenylfuro[3,2-d]pyrimidine has a molecular weight of 230.65 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-phenylfuro[3,2-d]pyrimidine is sourced from PubChem (CID 118682597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).