4-amino-1,3,4-trimethylpyrimidine-2-thione

C7H13N3S — CID 142616608

IUPAC4-amino-1,3,4-trimethylpyrimidine-2-thione
SMILESCN1C=CC(C)(N)N(C)C1=S
InChIInChI=1S/C7H13N3S/c1-7(8)4-5-9(2)6(11)10(7)3/h4-5H,8H2,1-3H3
InChIKeyFLZJEWIDRLOBBV-UHFFFAOYSA-N
MW171.27 g/mol
LogP0.34
Rot. Bonds

About 4-amino-1,3,4-trimethylpyrimidine-2-thione

4-amino-1,3,4-trimethylpyrimidine-2-thione (PubChem CID 142616608) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 4-amino-1,3,4-trimethylpyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-1,3,4-trimethylpyrimidine-2-thione
PubChem CID142616608
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name4-amino-1,3,4-trimethylpyrimidine-2-thione
SMILESCN1C=CC(C)(N)N(C)C1=S
InChIInChI=1S/C7H13N3S/c1-7(8)4-5-9(2)6(11)10(7)3/h4-5H,8H2,1-3H3
InChIKeyFLZJEWIDRLOBBV-UHFFFAOYSA-N
XLogP0.34
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 50.34
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-1,3,4-trimethylpyrimidine-2-thione?
The IUPAC name of 4-amino-1,3,4-trimethylpyrimidine-2-thione (CID 142616608) is 4-amino-1,3,4-trimethylpyrimidine-2-thione.
What is the SMILES notation for 4-amino-1,3,4-trimethylpyrimidine-2-thione?
The canonical SMILES for 4-amino-1,3,4-trimethylpyrimidine-2-thione is CN1C=CC(C)(N)N(C)C1=S.
What is the InChIKey of 4-amino-1,3,4-trimethylpyrimidine-2-thione?
The InChIKey is FLZJEWIDRLOBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-7(8)4-5-9(2)6(11)10(7)3/h4-5H,8H2,1-3H3.
What are the key properties of 4-amino-1,3,4-trimethylpyrimidine-2-thione?
4-amino-1,3,4-trimethylpyrimidine-2-thione has a molecular weight of 171.27 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3,4-trimethylpyrimidine-2-thione is sourced from PubChem (CID 142616608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).