6-methyl-[1]benzofuro[3,2-d]pyrimidine-2,4-diamine

C11H10N4O — CID 141392136

IUPAC6-methyl-[1]benzofuro[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cccc2c1oc1c(N)nc(N)nc12
InChIInChI=1S/C11H10N4O/c1-5-3-2-4-6-7-9(16-8(5)6)10(12)15-11(13)14-7/h2-4H,1H3,(H4,12,13,14,15)
InChIKeyCFKDMBGBAYTZHD-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.85
Rot. Bonds

About 6-methyl-[1]benzofuro[3,2-d]pyrimidine-2,4-diamine

6-methyl-[1]benzofuro[3,2-d]pyrimidine-2,4-diamine (PubChem CID 141392136) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 6-methyl-[1]benzofuro[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-[1]benzofuro[3,2-d]pyrimidine-2,4-diamine
PubChem CID141392136
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name6-methyl-[1]benzofuro[3,2-d]pyrimidine-2,4-diamine
SMILESCc1cccc2c1oc1c(N)nc(N)nc12
InChIInChI=1S/C11H10N4O/c1-5-3-2-4-6-7-9(16-8(5)6)10(12)15-11(13)14-7/h2-4H,1H3,(H4,12,13,14,15)
InChIKeyCFKDMBGBAYTZHD-UHFFFAOYSA-N
XLogP1.85
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-[1]benzofuro[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-[1]benzofuro[3,2-d]pyrimidine-2,4-diamine (CID 141392136) is 6-methyl-[1]benzofuro[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-[1]benzofuro[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-[1]benzofuro[3,2-d]pyrimidine-2,4-diamine is Cc1cccc2c1oc1c(N)nc(N)nc12.
What is the InChIKey of 6-methyl-[1]benzofuro[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is CFKDMBGBAYTZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-5-3-2-4-6-7-9(16-8(5)6)10(12)15-11(13)14-7/h2-4H,1H3,(H4,12,13,14,15).
What are the key properties of 6-methyl-[1]benzofuro[3,2-d]pyrimidine-2,4-diamine?
6-methyl-[1]benzofuro[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 214.23 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-[1]benzofuro[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 141392136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).