2-(3,4-dihydro-2H-pyran-2-ylmethyl)pteridine

C12H12N4O — CID 161118352

IUPAC2-(3,4-dihydro-2H-pyran-2-ylmethyl)pteridine
SMILESC1=COC(Cc2ncc3nccnc3n2)CC1
InChIInChI=1S/C12H12N4O/c1-2-6-17-9(3-1)7-11-15-8-10-12(16-11)14-5-4-13-10/h2,4-6,8-9H,1,3,7H2
InChIKeyUKPSVFUOPQKGTH-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.65
Rot. Bonds2

About 2-(3,4-dihydro-2H-pyran-2-ylmethyl)pteridine

2-(3,4-dihydro-2H-pyran-2-ylmethyl)pteridine (PubChem CID 161118352) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-2-ylmethyl)pteridine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-2-ylmethyl)pteridine
PubChem CID161118352
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name2-(3,4-dihydro-2H-pyran-2-ylmethyl)pteridine
SMILESC1=COC(Cc2ncc3nccnc3n2)CC1
InChIInChI=1S/C12H12N4O/c1-2-6-17-9(3-1)7-11-15-8-10-12(16-11)14-5-4-13-10/h2,4-6,8-9H,1,3,7H2
InChIKeyUKPSVFUOPQKGTH-UHFFFAOYSA-N
XLogP1.65
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethyl)pteridine?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-2-ylmethyl)pteridine (CID 161118352) is 2-(3,4-dihydro-2H-pyran-2-ylmethyl)pteridine.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-2-ylmethyl)pteridine?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-2-ylmethyl)pteridine is C1=COC(Cc2ncc3nccnc3n2)CC1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-2-ylmethyl)pteridine?
The InChIKey is UKPSVFUOPQKGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-2-6-17-9(3-1)7-11-15-8-10-12(16-11)14-5-4-13-10/h2,4-6,8-9H,1,3,7H2.
What are the key properties of 2-(3,4-dihydro-2H-pyran-2-ylmethyl)pteridine?
2-(3,4-dihydro-2H-pyran-2-ylmethyl)pteridine has a molecular weight of 228.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-2-ylmethyl)pteridine is sourced from PubChem (CID 161118352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).