2-amino-5,6-dimethyl-1H-pyrimidine-4-thione

C6H9N3S — CID 45071863

IUPAC2-amino-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N)nc(=S)c1C
InChIInChI=1S/C6H9N3S/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H3,7,8,9,10)
InChIKeyTXMPQVVMSAPEIF-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.34
Rot. Bonds

About 2-amino-5,6-dimethyl-1H-pyrimidine-4-thione

2-amino-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 45071863) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 2-amino-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-amino-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID45071863
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name2-amino-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N)nc(=S)c1C
InChIInChI=1S/C6H9N3S/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H3,7,8,9,10)
InChIKeyTXMPQVVMSAPEIF-UHFFFAOYSA-N
XLogP1.34
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-amino-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-amino-5,6-dimethyl-1H-pyrimidine-4-thione (CID 45071863) is 2-amino-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-amino-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-amino-5,6-dimethyl-1H-pyrimidine-4-thione is Cc1[nH]c(N)nc(=S)c1C.
What is the InChIKey of 2-amino-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is TXMPQVVMSAPEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H3,7,8,9,10).
What are the key properties of 2-amino-5,6-dimethyl-1H-pyrimidine-4-thione?
2-amino-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 155.23 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 45071863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).