4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione

C10H16N4S — CID 117102094

IUPAC4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione
SMILESCC(C)Nc1nc(=S)[nH]c2c1CNCC2
InChIInChI=1S/C10H16N4S/c1-6(2)12-9-7-5-11-4-3-8(7)13-10(15)14-9/h6,11H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyUZSAFXPLTXLBBZ-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.61
Rot. Bonds2

About 4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione

4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione (PubChem CID 117102094) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione.

Molecular Properties

Compound Name4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione
PubChem CID117102094
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione
SMILESCC(C)Nc1nc(=S)[nH]c2c1CNCC2
InChIInChI=1S/C10H16N4S/c1-6(2)12-9-7-5-11-4-3-8(7)13-10(15)14-9/h6,11H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyUZSAFXPLTXLBBZ-UHFFFAOYSA-N
XLogP1.61
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione?
The IUPAC name of 4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione (CID 117102094) is 4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione.
What is the SMILES notation for 4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione?
The canonical SMILES for 4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione is CC(C)Nc1nc(=S)[nH]c2c1CNCC2.
What is the InChIKey of 4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione?
The InChIKey is UZSAFXPLTXLBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c1-6(2)12-9-7-5-11-4-3-8(7)13-10(15)14-9/h6,11H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione?
4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione has a molecular weight of 224.33 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione is sourced from PubChem (CID 117102094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).