2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pteridine-2,4-diamine

C18H16N6O — CID 16910748

IUPAC2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pteridine-2,4-diamine
SMILESCc1ccc(Nc2nc(NCc3ccco3)nc3nccnc23)cc1
InChIInChI=1S/C18H16N6O/c1-12-4-6-13(7-5-12)22-17-15-16(20-9-8-19-15)23-18(24-17)21-11-14-3-2-10-25-14/h2-10H,11H2,1H3,(H2,20,21,22,23,24)
InChIKeyCXBSZEAGTXBYTQ-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.68
Rot. Bonds5

About 2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pteridine-2,4-diamine

2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pteridine-2,4-diamine (PubChem CID 16910748) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pteridine-2,4-diamine
PubChem CID16910748
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pteridine-2,4-diamine
SMILESCc1ccc(Nc2nc(NCc3ccco3)nc3nccnc23)cc1
InChIInChI=1S/C18H16N6O/c1-12-4-6-13(7-5-12)22-17-15-16(20-9-8-19-15)23-18(24-17)21-11-14-3-2-10-25-14/h2-10H,11H2,1H3,(H2,20,21,22,23,24)
InChIKeyCXBSZEAGTXBYTQ-UHFFFAOYSA-N
XLogP3.68
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pteridine-2,4-diamine?
The IUPAC name of 2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pteridine-2,4-diamine (CID 16910748) is 2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pteridine-2,4-diamine.
What is the SMILES notation for 2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pteridine-2,4-diamine?
The canonical SMILES for 2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pteridine-2,4-diamine is Cc1ccc(Nc2nc(NCc3ccco3)nc3nccnc23)cc1.
What is the InChIKey of 2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pteridine-2,4-diamine?
The InChIKey is CXBSZEAGTXBYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-12-4-6-13(7-5-12)22-17-15-16(20-9-8-19-15)23-18(24-17)21-11-14-3-2-10-25-14/h2-10H,11H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pteridine-2,4-diamine?
2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pteridine-2,4-diamine has a molecular weight of 332.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pteridine-2,4-diamine is sourced from PubChem (CID 16910748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).