2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C8H11N3 — CID 54592578

IUPAC2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1ncc2c(n1)CNCC2
InChIInChI=1S/C8H11N3/c1-6-10-4-7-2-3-9-5-8(7)11-6/h4,9H,2-3,5H2,1H3
InChIKeySOTVGSLUVOXBFX-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.43
Rot. Bonds

About 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 54592578) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID54592578
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCc1ncc2c(n1)CNCC2
InChIInChI=1S/C8H11N3/c1-6-10-4-7-2-3-9-5-8(7)11-6/h4,9H,2-3,5H2,1H3
InChIKeySOTVGSLUVOXBFX-UHFFFAOYSA-N
XLogP0.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 54592578) is 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is Cc1ncc2c(n1)CNCC2.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is SOTVGSLUVOXBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6-10-4-7-2-3-9-5-8(7)11-6/h4,9H,2-3,5H2,1H3.
What are the key properties of 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 149.20 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 54592578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).