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

C8H11N3O — CID 82414595

IUPAC2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol
SMILESCc1ncc2c(n1)CNCC2O
InChIInChI=1S/C8H11N3O/c1-5-10-2-6-7(11-5)3-9-4-8(6)12/h2,8-9,12H,3-4H2,1H3
InChIKeyABCAXTDVWUVZLY-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.08
Rot. Bonds

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

2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol (PubChem CID 82414595) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol
PubChem CID82414595
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol
SMILESCc1ncc2c(n1)CNCC2O
InChIInChI=1S/C8H11N3O/c1-5-10-2-6-7(11-5)3-9-4-8(6)12/h2,8-9,12H,3-4H2,1H3
InChIKeyABCAXTDVWUVZLY-UHFFFAOYSA-N
XLogP-0.08
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene
CID 84662219
5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione
CID 83670870
4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-4-ol
CID 82418351
4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol
CID 82401834
6-ethyl-2-methyl-5,6,7,8-tetrahydroquinazolin-5-ol
CID 129296512
2-methyl-5,6,7,8-tetrahydroquinazoline-5-carboxylic acid
CID 83861952
2,6-dimethyl-7H-cyclopenta[d]pyrimidine
CID 58449453
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008486
1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-7-ol
CID 175870854
2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-6-carboxylic acid
CID 82410139
3-methyl-6,7-dihydro-5H-cyclopenta[b]pyrazin-7-ol
CID 156850758
2-methyl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-5-amine
CID 131856365

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol (CID 82414595) is 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol is Cc1ncc2c(n1)CNCC2O.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol?
The InChIKey is ABCAXTDVWUVZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-10-2-6-7(11-5)3-9-4-8(6)12/h2,8-9,12H,3-4H2,1H3.
What are the key properties of 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol?
2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol has a molecular weight of 165.20 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 82414595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).