3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione

C18H24N4O2S — CID 170224458

IUPAC3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione
SMILESCNn1c(=O)c2cc(SNC3(C)CC3)ccc2n(CC2(C)CC2)c1=O
InChIInChI=1S/C18H24N4O2S/c1-17(6-7-17)11-21-14-5-4-12(25-20-18(2)8-9-18)10-13(14)15(23)22(19-3)16(21)24/h4-5,10,19-20H,6-9,11H2,1-3H3
InChIKeyIUUKXEYWOQBSGH-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.29
Rot. Bonds6

About 3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione

3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione (PubChem CID 170224458) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione
PubChem CID170224458
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione
SMILESCNn1c(=O)c2cc(SNC3(C)CC3)ccc2n(CC2(C)CC2)c1=O
InChIInChI=1S/C18H24N4O2S/c1-17(6-7-17)11-21-14-5-4-12(25-20-18(2)8-9-18)10-13(14)15(23)22(19-3)16(21)24/h4-5,10,19-20H,6-9,11H2,1-3H3
InChIKeyIUUKXEYWOQBSGH-UHFFFAOYSA-N
XLogP2.29
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione?
The IUPAC name of 3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione (CID 170224458) is 3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione is CNn1c(=O)c2cc(SNC3(C)CC3)ccc2n(CC2(C)CC2)c1=O.
What is the InChIKey of 3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione?
The InChIKey is IUUKXEYWOQBSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-17(6-7-17)11-21-14-5-4-12(25-20-18(2)8-9-18)10-13(14)15(23)22(19-3)16(21)24/h4-5,10,19-20H,6-9,11H2,1-3H3.
What are the key properties of 3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione?
3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione has a molecular weight of 360.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-6-[(1-methylcyclopropyl)amino]sulfanyl-1-[(1-methylcyclopropyl)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 170224458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).