2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol

C15H15N5O — CID 58174107

IUPAC2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol
SMILESCc1cc(CCNc2ncnc3nccnc23)ccc1O
InChIInChI=1S/C15H15N5O/c1-10-8-11(2-3-12(10)21)4-5-17-14-13-15(20-9-19-14)18-7-6-16-13/h2-3,6-9,21H,4-5H2,1H3,(H,17,18,19,20)
InChIKeySAXCWIUSRDRSPC-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.09
Rot. Bonds4

About 2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol

2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol (PubChem CID 58174107) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol.

Molecular Properties

Compound Name2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol
PubChem CID58174107
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol
SMILESCc1cc(CCNc2ncnc3nccnc23)ccc1O
InChIInChI=1S/C15H15N5O/c1-10-8-11(2-3-12(10)21)4-5-17-14-13-15(20-9-19-14)18-7-6-16-13/h2-3,6-9,21H,4-5H2,1H3,(H,17,18,19,20)
InChIKeySAXCWIUSRDRSPC-UHFFFAOYSA-N
XLogP2.09
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol?
The IUPAC name of 2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol (CID 58174107) is 2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol.
What is the SMILES notation for 2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol?
The canonical SMILES for 2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol is Cc1cc(CCNc2ncnc3nccnc23)ccc1O.
What is the InChIKey of 2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol?
The InChIKey is SAXCWIUSRDRSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10-8-11(2-3-12(10)21)4-5-17-14-13-15(20-9-19-14)18-7-6-16-13/h2-3,6-9,21H,4-5H2,1H3,(H,17,18,19,20).
What are the key properties of 2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol?
2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol has a molecular weight of 281.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol is sourced from PubChem (CID 58174107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).