methyl 1,2-dihydropteridine-6-carboxylate

C8H8N4O2 — CID 141110396

IUPACmethyl 1,2-dihydropteridine-6-carboxylate
SMILESCOC(=O)c1cnc2c(n1)C=NCN2
InChIInChI=1S/C8H8N4O2/c1-14-8(13)6-3-10-7-5(12-6)2-9-4-11-7/h2-3H,4H2,1H3,(H,10,11)
InChIKeyDFKHGJLZFBHUMX-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.07
Rot. Bonds1

About methyl 1,2-dihydropteridine-6-carboxylate

methyl 1,2-dihydropteridine-6-carboxylate (PubChem CID 141110396) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is methyl 1,2-dihydropteridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-dihydropteridine-6-carboxylate
PubChem CID141110396
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Namemethyl 1,2-dihydropteridine-6-carboxylate
SMILESCOC(=O)c1cnc2c(n1)C=NCN2
InChIInChI=1S/C8H8N4O2/c1-14-8(13)6-3-10-7-5(12-6)2-9-4-11-7/h2-3H,4H2,1H3,(H,10,11)
InChIKeyDFKHGJLZFBHUMX-UHFFFAOYSA-N
XLogP0.07
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dihydropteridine-6-carboxylate?
The IUPAC name of methyl 1,2-dihydropteridine-6-carboxylate (CID 141110396) is methyl 1,2-dihydropteridine-6-carboxylate.
What is the SMILES notation for methyl 1,2-dihydropteridine-6-carboxylate?
The canonical SMILES for methyl 1,2-dihydropteridine-6-carboxylate is COC(=O)c1cnc2c(n1)C=NCN2.
What is the InChIKey of methyl 1,2-dihydropteridine-6-carboxylate?
The InChIKey is DFKHGJLZFBHUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-14-8(13)6-3-10-7-5(12-6)2-9-4-11-7/h2-3H,4H2,1H3,(H,10,11).
What are the key properties of methyl 1,2-dihydropteridine-6-carboxylate?
methyl 1,2-dihydropteridine-6-carboxylate has a molecular weight of 192.18 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-dihydropteridine-6-carboxylate is sourced from PubChem (CID 141110396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).