4-amino-6,7-dimethyl-3-propylquinazoline-2-thione

C13H17N3S — CID 170273459

IUPAC4-amino-6,7-dimethyl-3-propylquinazoline-2-thione
SMILESCCCn1c(N)c2cc(C)c(C)cc2nc1=S
InChIInChI=1S/C13H17N3S/c1-4-5-16-12(14)10-6-8(2)9(3)7-11(10)15-13(16)17/h6-7H,4-5,14H2,1-3H3
InChIKeyQZVOXFFKHQNOJD-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.37
Rot. Bonds2

About 4-amino-6,7-dimethyl-3-propylquinazoline-2-thione

4-amino-6,7-dimethyl-3-propylquinazoline-2-thione (PubChem CID 170273459) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-amino-6,7-dimethyl-3-propylquinazoline-2-thione.

Molecular Properties

Compound Name4-amino-6,7-dimethyl-3-propylquinazoline-2-thione
PubChem CID170273459
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-amino-6,7-dimethyl-3-propylquinazoline-2-thione
SMILESCCCn1c(N)c2cc(C)c(C)cc2nc1=S
InChIInChI=1S/C13H17N3S/c1-4-5-16-12(14)10-6-8(2)9(3)7-11(10)15-13(16)17/h6-7H,4-5,14H2,1-3H3
InChIKeyQZVOXFFKHQNOJD-UHFFFAOYSA-N
XLogP3.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
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-amino-6,7-dimethyl-3-propylquinazoline-2-thione?
The IUPAC name of 4-amino-6,7-dimethyl-3-propylquinazoline-2-thione (CID 170273459) is 4-amino-6,7-dimethyl-3-propylquinazoline-2-thione.
What is the SMILES notation for 4-amino-6,7-dimethyl-3-propylquinazoline-2-thione?
The canonical SMILES for 4-amino-6,7-dimethyl-3-propylquinazoline-2-thione is CCCn1c(N)c2cc(C)c(C)cc2nc1=S.
What is the InChIKey of 4-amino-6,7-dimethyl-3-propylquinazoline-2-thione?
The InChIKey is QZVOXFFKHQNOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-4-5-16-12(14)10-6-8(2)9(3)7-11(10)15-13(16)17/h6-7H,4-5,14H2,1-3H3.
What are the key properties of 4-amino-6,7-dimethyl-3-propylquinazoline-2-thione?
4-amino-6,7-dimethyl-3-propylquinazoline-2-thione has a molecular weight of 247.37 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6,7-dimethyl-3-propylquinazoline-2-thione is sourced from PubChem (CID 170273459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).