5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol

C19H16N4O2 — CID 11370982

IUPAC5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol
SMILESCc1ccc(Nc2ncnc3oc(-c4cccc(N)c4)cc23)cc1O
InChIInChI=1S/C19H16N4O2/c1-11-5-6-14(8-16(11)24)23-18-15-9-17(25-19(15)22-10-21-18)12-3-2-4-13(20)7-12/h2-10,24H,20H2,1H3,(H,21,22,23)
InChIKeyQROLHGWWFRPOAP-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.23
Rot. Bonds3

About 5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol

5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol (PubChem CID 11370982) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol.

Molecular Properties

Compound Name5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol
PubChem CID11370982
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol
SMILESCc1ccc(Nc2ncnc3oc(-c4cccc(N)c4)cc23)cc1O
InChIInChI=1S/C19H16N4O2/c1-11-5-6-14(8-16(11)24)23-18-15-9-17(25-19(15)22-10-21-18)12-3-2-4-13(20)7-12/h2-10,24H,20H2,1H3,(H,21,22,23)
InChIKeyQROLHGWWFRPOAP-UHFFFAOYSA-N
XLogP4.23
TPSA97.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol?
The IUPAC name of 5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol (CID 11370982) is 5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol.
What is the SMILES notation for 5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol?
The canonical SMILES for 5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol is Cc1ccc(Nc2ncnc3oc(-c4cccc(N)c4)cc23)cc1O.
What is the InChIKey of 5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol?
The InChIKey is QROLHGWWFRPOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11-5-6-14(8-16(11)24)23-18-15-9-17(25-19(15)22-10-21-18)12-3-2-4-13(20)7-12/h2-10,24H,20H2,1H3,(H,21,22,23).
What are the key properties of 5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol?
5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol has a molecular weight of 332.36 g/mol, XLogP of 4.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol is sourced from PubChem (CID 11370982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).