N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide

C12H18N4O2S — CID 61224760

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1cc(=O)n(CCC(=O)N(C)CCC(N)=S)cn1
InChIInChI=1S/C12H18N4O2S/c1-9-7-12(18)16(8-14-9)6-4-11(17)15(2)5-3-10(13)19/h7-8H,3-6H2,1-2H3,(H2,13,19)
InChIKeyPZTBIYFIQKEQBJ-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.08
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide (PubChem CID 61224760) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide
PubChem CID61224760
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1cc(=O)n(CCC(=O)N(C)CCC(N)=S)cn1
InChIInChI=1S/C12H18N4O2S/c1-9-7-12(18)16(8-14-9)6-4-11(17)15(2)5-3-10(13)19/h7-8H,3-6H2,1-2H3,(H2,13,19)
InChIKeyPZTBIYFIQKEQBJ-UHFFFAOYSA-N
XLogP0.08
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide 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 N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide (CID 61224760) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide is Cc1cc(=O)n(CCC(=O)N(C)CCC(N)=S)cn1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is PZTBIYFIQKEQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-9-7-12(18)16(8-14-9)6-4-11(17)15(2)5-3-10(13)19/h7-8H,3-6H2,1-2H3,(H2,13,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 282.37 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-methyl-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 61224760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).