3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol

C19H14BrN3O2 — CID 11567421

IUPAC3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol
SMILESCc1c(-c2ccc(Br)cc2)oc2ncnc(Nc3cccc(O)c3)c12
InChIInChI=1S/C19H14BrN3O2/c1-11-16-18(23-14-3-2-4-15(24)9-14)21-10-22-19(16)25-17(11)12-5-7-13(20)8-6-12/h2-10,24H,1H3,(H,21,22,23)
InChIKeyHRNDHZCDZXOMCE-UHFFFAOYSA-N
MW396.24 g/mol
LogP5.41
Rot. Bonds3

About 3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol

3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol (PubChem CID 11567421) has the molecular formula C19H14BrN3O2 and a molecular weight of 396.24 g/mol. Its IUPAC name is 3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol
PubChem CID11567421
Molecular FormulaC19H14BrN3O2
Molecular Weight396.24 g/mol
Exact Mass395.03
IUPAC Name3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol
SMILESCc1c(-c2ccc(Br)cc2)oc2ncnc(Nc3cccc(O)c3)c12
InChIInChI=1S/C19H14BrN3O2/c1-11-16-18(23-14-3-2-4-15(24)9-14)21-10-22-19(16)25-17(11)12-5-7-13(20)8-6-12/h2-10,24H,1H3,(H,21,22,23)
InChIKeyHRNDHZCDZXOMCE-UHFFFAOYSA-N
XLogP5.41
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.24
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]phenol
CID 11545358
2-[3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]phenoxy]propanoic acid
CID 67307092
3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 21009748
N-[3-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 21011874
3-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21009753
3-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enoic acid
CID 67160365
sodium 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]phenoxy]acetate
CID 67160041
3-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzonitrile
CID 21010497
N-(3-chlorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924668
N-(3-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924757
3-[[6-(methylsulfonimidoyl)quinazolin-4-yl]amino]phenol
CID 42641380
3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]phenol
CID 58542289

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol?
The IUPAC name of 3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol (CID 11567421) is 3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol?
The canonical SMILES for 3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol is Cc1c(-c2ccc(Br)cc2)oc2ncnc(Nc3cccc(O)c3)c12.
What is the InChIKey of 3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol?
The InChIKey is HRNDHZCDZXOMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O2/c1-11-16-18(23-14-3-2-4-15(24)9-14)21-10-22-19(16)25-17(11)12-5-7-13(20)8-6-12/h2-10,24H,1H3,(H,21,22,23).
What are the key properties of 3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol?
3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol has a molecular weight of 396.24 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 11567421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).