1,5-dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione

C11H19N3S — CID 135268777

IUPAC1,5-dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione
SMILESC=C1C(C)=C(NC)N(C)C(=S)N1CCC
InChIInChI=1S/C11H19N3S/c1-6-7-14-9(3)8(2)10(12-4)13(5)11(14)15/h12H,3,6-7H2,1-2,4-5H3
InChIKeyNRSMCEARWVOUFS-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.89
Rot. Bonds3

About 1,5-dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione

1,5-dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione (PubChem CID 135268777) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1,5-dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione.

Molecular Properties

Compound Name1,5-dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione
PubChem CID135268777
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1,5-dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione
SMILESC=C1C(C)=C(NC)N(C)C(=S)N1CCC
InChIInChI=1S/C11H19N3S/c1-6-7-14-9(3)8(2)10(12-4)13(5)11(14)15/h12H,3,6-7H2,1-2,4-5H3
InChIKeyNRSMCEARWVOUFS-UHFFFAOYSA-N
XLogP1.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1,5-dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione?
The IUPAC name of 1,5-dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione (CID 135268777) is 1,5-dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione.
What is the SMILES notation for 1,5-dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione?
The canonical SMILES for 1,5-dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione is C=C1C(C)=C(NC)N(C)C(=S)N1CCC.
What is the InChIKey of 1,5-dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione?
The InChIKey is NRSMCEARWVOUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-6-7-14-9(3)8(2)10(12-4)13(5)11(14)15/h12H,3,6-7H2,1-2,4-5H3.
What are the key properties of 1,5-dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione?
1,5-dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione has a molecular weight of 225.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione is sourced from PubChem (CID 135268777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).