5-(4-bromophenyl)-6-[4-[1-(4-methoxyphenyl)ethenylamino]phenyl]-N-(2-methylpropyl)furo[2,3-d]pyrimidin-4-amine

C31H29BrN4O2 — CID 142215848

IUPAC5-(4-bromophenyl)-6-[4-[1-(4-methoxyphenyl)ethenylamino]phenyl]-N-(2-methylpropyl)furo[2,3-d]pyrimidin-4-amine
SMILESC=C(Nc1ccc(-c2oc3ncnc(NCC(C)C)c3c2-c2ccc(Br)cc2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C31H29BrN4O2/c1-19(2)17-33-30-28-27(22-5-11-24(32)12-6-22)29(38-31(28)35-18-34-30)23-7-13-25(14-8-23)36-20(3)21-9-15-26(37-4)16-10-21/h5-16,18-19,36H,3,17H2,1-2,4H3,(H,33,34,35)
InChIKeyWPGJHRISGJBCRP-UHFFFAOYSA-N
MW569.50 g/mol
LogP8.48
Rot. Bonds9

About 5-(4-bromophenyl)-6-[4-[1-(4-methoxyphenyl)ethenylamino]phenyl]-N-(2-methylpropyl)furo[2,3-d]pyrimidin-4-amine

5-(4-bromophenyl)-6-[4-[1-(4-methoxyphenyl)ethenylamino]phenyl]-N-(2-methylpropyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 142215848) has the molecular formula C31H29BrN4O2 and a molecular weight of 569.50 g/mol. Its IUPAC name is 5-(4-bromophenyl)-6-[4-[1-(4-methoxyphenyl)ethenylamino]phenyl]-N-(2-methylpropyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-6-[4-[1-(4-methoxyphenyl)ethenylamino]phenyl]-N-(2-methylpropyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID142215848
Molecular FormulaC31H29BrN4O2
Molecular Weight569.50 g/mol
Exact Mass568.15
IUPAC Name5-(4-bromophenyl)-6-[4-[1-(4-methoxyphenyl)ethenylamino]phenyl]-N-(2-methylpropyl)furo[2,3-d]pyrimidin-4-amine
SMILESC=C(Nc1ccc(-c2oc3ncnc(NCC(C)C)c3c2-c2ccc(Br)cc2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C31H29BrN4O2/c1-19(2)17-33-30-28-27(22-5-11-24(32)12-6-22)29(38-31(28)35-18-34-30)23-7-13-25(14-8-23)36-20(3)21-9-15-26(37-4)16-10-21/h5-16,18-19,36H,3,17H2,1-2,4H3,(H,33,34,35)
InChIKeyWPGJHRISGJBCRP-UHFFFAOYSA-N
XLogP8.48
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.50
LogP ≤ 58.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 46855198
1-[4-[2-[[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]ethyl]phenyl]-3-[(3E)-hexa-1,3,5-trien-3-yl]urea
CID 143887477
N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
CID 86211262
5-(4-methoxyphenyl)-6-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)furo[2,3-d]pyrimidin-4-amine
CID 58016871
1-[(3R)-6-[[5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]hexan-3-yl]-3-ethylurea
CID 163575551
6-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hex-2-enoic acid
CID 123756905
6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine
CID 10271893
3-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enoic acid
CID 67160365
5-(4-bromophenyl)-6-ethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 84555580
sodium 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]phenoxy]acetate
CID 67160041
5-(4-methoxyphenyl)-N-phenyl-6-phenylfuro[2,3-d]pyrimidin-4-amine;methyl acetate;yttrium
CID 58280141
5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol
CID 89049958

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-6-[4-[1-(4-methoxyphenyl)ethenylamino]phenyl]-N-(2-methylpropyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-bromophenyl)-6-[4-[1-(4-methoxyphenyl)ethenylamino]phenyl]-N-(2-methylpropyl)furo[2,3-d]pyrimidin-4-amine (CID 142215848) is 5-(4-bromophenyl)-6-[4-[1-(4-methoxyphenyl)ethenylamino]phenyl]-N-(2-methylpropyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-6-[4-[1-(4-methoxyphenyl)ethenylamino]phenyl]-N-(2-methylpropyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-6-[4-[1-(4-methoxyphenyl)ethenylamino]phenyl]-N-(2-methylpropyl)furo[2,3-d]pyrimidin-4-amine is C=C(Nc1ccc(-c2oc3ncnc(NCC(C)C)c3c2-c2ccc(Br)cc2)cc1)c1ccc(OC)cc1.
What is the InChIKey of 5-(4-bromophenyl)-6-[4-[1-(4-methoxyphenyl)ethenylamino]phenyl]-N-(2-methylpropyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is WPGJHRISGJBCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29BrN4O2/c1-19(2)17-33-30-28-27(22-5-11-24(32)12-6-22)29(38-31(28)35-18-34-30)23-7-13-25(14-8-23)36-20(3)21-9-15-26(37-4)16-10-21/h5-16,18-19,36H,3,17H2,1-2,4H3,(H,33,34,35).
What are the key properties of 5-(4-bromophenyl)-6-[4-[1-(4-methoxyphenyl)ethenylamino]phenyl]-N-(2-methylpropyl)furo[2,3-d]pyrimidin-4-amine?
5-(4-bromophenyl)-6-[4-[1-(4-methoxyphenyl)ethenylamino]phenyl]-N-(2-methylpropyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 569.50 g/mol, XLogP of 8.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-6-[4-[1-(4-methoxyphenyl)ethenylamino]phenyl]-N-(2-methylpropyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 142215848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).