2-[[2-(methylamino)pteridin-7-yl]amino]ethanol

C9H12N6O — CID 169075061

IUPAC2-[[2-(methylamino)pteridin-7-yl]amino]ethanol
SMILESCNc1ncc2ncc(NCCO)nc2n1
InChIInChI=1S/C9H12N6O/c1-10-9-13-4-6-8(15-9)14-7(5-12-6)11-2-3-16/h4-5,16H,2-3H2,1H3,(H2,10,11,13,14,15)
InChIKeyLDNHPAVBFPTIFN-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.13
Rot. Bonds4

About 2-[[2-(methylamino)pteridin-7-yl]amino]ethanol

2-[[2-(methylamino)pteridin-7-yl]amino]ethanol (PubChem CID 169075061) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-[[2-(methylamino)pteridin-7-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(methylamino)pteridin-7-yl]amino]ethanol
PubChem CID169075061
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name2-[[2-(methylamino)pteridin-7-yl]amino]ethanol
SMILESCNc1ncc2ncc(NCCO)nc2n1
InChIInChI=1S/C9H12N6O/c1-10-9-13-4-6-8(15-9)14-7(5-12-6)11-2-3-16/h4-5,16H,2-3H2,1H3,(H2,10,11,13,14,15)
InChIKeyLDNHPAVBFPTIFN-UHFFFAOYSA-N
XLogP-0.13
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(methylamino)pteridin-7-yl]amino]ethanol 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-[[2-(methylamino)pteridin-7-yl]amino]ethanol?
The IUPAC name of 2-[[2-(methylamino)pteridin-7-yl]amino]ethanol (CID 169075061) is 2-[[2-(methylamino)pteridin-7-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(methylamino)pteridin-7-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(methylamino)pteridin-7-yl]amino]ethanol is CNc1ncc2ncc(NCCO)nc2n1.
What is the InChIKey of 2-[[2-(methylamino)pteridin-7-yl]amino]ethanol?
The InChIKey is LDNHPAVBFPTIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-10-9-13-4-6-8(15-9)14-7(5-12-6)11-2-3-16/h4-5,16H,2-3H2,1H3,(H2,10,11,13,14,15).
What are the key properties of 2-[[2-(methylamino)pteridin-7-yl]amino]ethanol?
2-[[2-(methylamino)pteridin-7-yl]amino]ethanol has a molecular weight of 220.24 g/mol, XLogP of -0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)pteridin-7-yl]amino]ethanol is sourced from PubChem (CID 169075061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).