5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione

C8H11N3OS — CID 83670870

IUPAC5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione
SMILESCc1[nH]c(=S)nc2c1C(O)CNC2
InChIInChI=1S/C8H11N3OS/c1-4-7-5(11-8(13)10-4)2-9-3-6(7)12/h6,9,12H,2-3H2,1H3,(H,10,11,13)
InChIKeyYTSFQLVJQXUYKX-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.58
Rot. Bonds

About 5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione

5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione (PubChem CID 83670870) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione.

Molecular Properties

Compound Name5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione
PubChem CID83670870
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione
SMILESCc1[nH]c(=S)nc2c1C(O)CNC2
InChIInChI=1S/C8H11N3OS/c1-4-7-5(11-8(13)10-4)2-9-3-6(7)12/h6,9,12H,2-3H2,1H3,(H,10,11,13)
InChIKeyYTSFQLVJQXUYKX-UHFFFAOYSA-N
XLogP0.58
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione
CID 105481259
2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol
CID 82414595
4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-5-ol
CID 82401834
4,5,6-trimethyl-1H-pyrimidine-2-thione
CID 2441048
4,6-dimethyl-5-(pyrrolidin-3-ylmethyl)-1H-pyrimidine-2-thione
CID 105481256
4-[3-(4-methylphenoxy)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[3,4-b][1,7]naphthyridin-5-ol
CID 90710646
3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-4-ol
CID 83484667
5-methyl-4,6-dihydro-[1,3]dioxino[4,5-d]pyrimidine-7-thione
CID 130006735
2-[4-(diethylamino)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-7-ol
CID 143870229
4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-4-ol
CID 82418351
1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridin-7-ol
CID 175870854
7-bromo-4-methyl-3H-thieno[3,2-d]pyrimidine-2-thione
CID 174691519

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione?
The IUPAC name of 5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione (CID 83670870) is 5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione.
What is the SMILES notation for 5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione?
The canonical SMILES for 5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione is Cc1[nH]c(=S)nc2c1C(O)CNC2.
What is the InChIKey of 5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione?
The InChIKey is YTSFQLVJQXUYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-4-7-5(11-8(13)10-4)2-9-3-6(7)12/h6,9,12H,2-3H2,1H3,(H,10,11,13).
What are the key properties of 5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione?
5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione has a molecular weight of 197.26 g/mol, XLogP of 0.58, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methyl-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidine-2-thione is sourced from PubChem (CID 83670870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).