1,2-dihydropteridin-2-ylmethanol

C7H8N4O — CID 66794010

IUPAC1,2-dihydropteridin-2-ylmethanol
SMILESOCC1N=Cc2nccnc2N1
InChIInChI=1S/C7H8N4O/c12-4-6-10-3-5-7(11-6)9-2-1-8-5/h1-3,6,12H,4H2,(H,9,11)
InChIKeyFJGFVNAHMLRIJS-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.36
Rot. Bonds1

About 1,2-dihydropteridin-2-ylmethanol

1,2-dihydropteridin-2-ylmethanol (PubChem CID 66794010) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 1,2-dihydropteridin-2-ylmethanol.

Molecular Properties

Compound Name1,2-dihydropteridin-2-ylmethanol
PubChem CID66794010
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name1,2-dihydropteridin-2-ylmethanol
SMILESOCC1N=Cc2nccnc2N1
InChIInChI=1S/C7H8N4O/c12-4-6-10-3-5-7(11-6)9-2-1-8-5/h1-3,6,12H,4H2,(H,9,11)
InChIKeyFJGFVNAHMLRIJS-UHFFFAOYSA-N
XLogP-0.36
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropteridin-2-ylmethanol?
The IUPAC name of 1,2-dihydropteridin-2-ylmethanol (CID 66794010) is 1,2-dihydropteridin-2-ylmethanol.
What is the SMILES notation for 1,2-dihydropteridin-2-ylmethanol?
The canonical SMILES for 1,2-dihydropteridin-2-ylmethanol is OCC1N=Cc2nccnc2N1.
What is the InChIKey of 1,2-dihydropteridin-2-ylmethanol?
The InChIKey is FJGFVNAHMLRIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c12-4-6-10-3-5-7(11-6)9-2-1-8-5/h1-3,6,12H,4H2,(H,9,11).
What are the key properties of 1,2-dihydropteridin-2-ylmethanol?
1,2-dihydropteridin-2-ylmethanol has a molecular weight of 164.17 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropteridin-2-ylmethanol is sourced from PubChem (CID 66794010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).