5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine

C20H17N3O — CID 905708

IUPAC5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C20H17N3O/c1-12-3-7-14(8-4-12)16-17-19(21)22-11-23-20(17)24-18(16)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H2,21,22,23)
InChIKeyUFVGNLZUNWOIDC-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.76
Rot. Bonds2

About 5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine

5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 905708) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID905708
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C20H17N3O/c1-12-3-7-14(8-4-12)16-17-19(21)22-11-23-20(17)24-18(16)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H2,21,22,23)
InChIKeyUFVGNLZUNWOIDC-UHFFFAOYSA-N
XLogP4.76
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine (CID 905708) is 5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is UFVGNLZUNWOIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-12-3-7-14(8-4-12)16-17-19(21)22-11-23-20(17)24-18(16)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H2,21,22,23).
What are the key properties of 5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine?
5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 315.38 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methylphenyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 905708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).