ethane;2,6,8-trimethylpyrido[3,4-d]pyrimidine

C12H17N3 — CID 142291040

IUPACethane;2,6,8-trimethylpyrido[3,4-d]pyrimidine
SMILESCC.Cc1cc2cnc(C)nc2c(C)n1
InChIInChI=1S/C10H11N3.C2H6/c1-6-4-9-5-11-8(3)13-10(9)7(2)12-6;1-2/h4-5H,1-3H3;1-2H3
InChIKeyJHHJDSXKORDRRW-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.98
Rot. Bonds

About ethane;2,6,8-trimethylpyrido[3,4-d]pyrimidine

ethane;2,6,8-trimethylpyrido[3,4-d]pyrimidine (PubChem CID 142291040) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is ethane;2,6,8-trimethylpyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Nameethane;2,6,8-trimethylpyrido[3,4-d]pyrimidine
PubChem CID142291040
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Nameethane;2,6,8-trimethylpyrido[3,4-d]pyrimidine
SMILESCC.Cc1cc2cnc(C)nc2c(C)n1
InChIInChI=1S/C10H11N3.C2H6/c1-6-4-9-5-11-8(3)13-10(9)7(2)12-6;1-2/h4-5H,1-3H3;1-2H3
InChIKeyJHHJDSXKORDRRW-UHFFFAOYSA-N
XLogP2.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2,6,8-trimethylpyrido[3,4-d]pyrimidine?
The IUPAC name of ethane;2,6,8-trimethylpyrido[3,4-d]pyrimidine (CID 142291040) is ethane;2,6,8-trimethylpyrido[3,4-d]pyrimidine.
What is the SMILES notation for ethane;2,6,8-trimethylpyrido[3,4-d]pyrimidine?
The canonical SMILES for ethane;2,6,8-trimethylpyrido[3,4-d]pyrimidine is CC.Cc1cc2cnc(C)nc2c(C)n1.
What is the InChIKey of ethane;2,6,8-trimethylpyrido[3,4-d]pyrimidine?
The InChIKey is JHHJDSXKORDRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.C2H6/c1-6-4-9-5-11-8(3)13-10(9)7(2)12-6;1-2/h4-5H,1-3H3;1-2H3.
What are the key properties of ethane;2,6,8-trimethylpyrido[3,4-d]pyrimidine?
ethane;2,6,8-trimethylpyrido[3,4-d]pyrimidine has a molecular weight of 203.29 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,6,8-trimethylpyrido[3,4-d]pyrimidine is sourced from PubChem (CID 142291040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).