4-amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione

C10H19N3S — CID 155707338

IUPAC4-amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione
SMILESCN1C(=S)N(C(C)(C)C)C=CC1(C)N
InChIInChI=1S/C10H19N3S/c1-9(2,3)13-7-6-10(4,11)12(5)8(13)14/h6-7H,11H2,1-5H3
InChIKeyZTYOJNYOCJYNQZ-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.51
Rot. Bonds

About 4-amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione

4-amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione (PubChem CID 155707338) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 4-amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione
PubChem CID155707338
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name4-amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione
SMILESCN1C(=S)N(C(C)(C)C)C=CC1(C)N
InChIInChI=1S/C10H19N3S/c1-9(2,3)13-7-6-10(4,11)12(5)8(13)14/h6-7H,11H2,1-5H3
InChIKeyZTYOJNYOCJYNQZ-UHFFFAOYSA-N
XLogP1.51
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.51
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 4-amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione?
The IUPAC name of 4-amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione (CID 155707338) is 4-amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione.
What is the SMILES notation for 4-amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione?
The canonical SMILES for 4-amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione is CN1C(=S)N(C(C)(C)C)C=CC1(C)N.
What is the InChIKey of 4-amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione?
The InChIKey is ZTYOJNYOCJYNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-9(2,3)13-7-6-10(4,11)12(5)8(13)14/h6-7H,11H2,1-5H3.
What are the key properties of 4-amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione?
4-amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione has a molecular weight of 213.35 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-tert-butyl-3,4-dimethylpyrimidine-2-thione is sourced from PubChem (CID 155707338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).