8-methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine

C8H11N3 — CID 90291949

IUPAC8-methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCC1NC=CC2=C1NC=NC2
InChIInChI=1S/C8H11N3/c1-6-8-7(2-3-10-6)4-9-5-11-8/h2-3,5-6,10H,4H2,1H3,(H,9,11)
InChIKeyXQUDYENLPZPFTQ-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.38
Rot. Bonds

About 8-methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine

8-methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 90291949) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 8-methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name8-methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID90291949
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name8-methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCC1NC=CC2=C1NC=NC2
InChIInChI=1S/C8H11N3/c1-6-8-7(2-3-10-6)4-9-5-11-8/h2-3,5-6,10H,4H2,1H3,(H,9,11)
InChIKeyXQUDYENLPZPFTQ-UHFFFAOYSA-N
XLogP0.38
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 8-methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 90291949) is 8-methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 8-methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 8-methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine is CC1NC=CC2=C1NC=NC2.
What is the InChIKey of 8-methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is XQUDYENLPZPFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6-8-7(2-3-10-6)4-9-5-11-8/h2-3,5-6,10H,4H2,1H3,(H,9,11).
What are the key properties of 8-methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine?
8-methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 149.20 g/mol, XLogP of 0.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 90291949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).