6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione

C10H15N3S — CID 53215345

IUPAC6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
SMILESCCCN1CCc2[nH]c(=S)ncc2C1
InChIInChI=1S/C10H15N3S/c1-2-4-13-5-3-9-8(7-13)6-11-10(14)12-9/h6H,2-5,7H2,1H3,(H,11,12,14)
InChIKeyQHXZUUZGQZBNCK-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.91
Rot. Bonds2

About 6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione

6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione (PubChem CID 53215345) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione.

Molecular Properties

Compound Name6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
PubChem CID53215345
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
SMILESCCCN1CCc2[nH]c(=S)ncc2C1
InChIInChI=1S/C10H15N3S/c1-2-4-13-5-3-9-8(7-13)6-11-10(14)12-9/h6H,2-5,7H2,1H3,(H,11,12,14)
InChIKeyQHXZUUZGQZBNCK-UHFFFAOYSA-N
XLogP1.91
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione?
The IUPAC name of 6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione (CID 53215345) is 6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione.
What is the SMILES notation for 6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione?
The canonical SMILES for 6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione is CCCN1CCc2[nH]c(=S)ncc2C1.
What is the InChIKey of 6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione?
The InChIKey is QHXZUUZGQZBNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-2-4-13-5-3-9-8(7-13)6-11-10(14)12-9/h6H,2-5,7H2,1H3,(H,11,12,14).
What are the key properties of 6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione?
6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione has a molecular weight of 209.32 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione is sourced from PubChem (CID 53215345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).