4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol

C10H12N4S2 — CID 87839524

IUPAC4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol
SMILESCc1nc(C)c(S)c(-c2sc(N)nc2C)n1
InChIInChI=1S/C10H12N4S2/c1-4-8(15)7(14-6(3)12-4)9-5(2)13-10(11)16-9/h15H,1-3H3,(H2,11,13)
InChIKeyFSNPOKUFMMBMPZ-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.40
Rot. Bonds1

About 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol

4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol (PubChem CID 87839524) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol.

Molecular Properties

Compound Name4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol
PubChem CID87839524
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol
SMILESCc1nc(C)c(S)c(-c2sc(N)nc2C)n1
InChIInChI=1S/C10H12N4S2/c1-4-8(15)7(14-6(3)12-4)9-5(2)13-10(11)16-9/h15H,1-3H3,(H2,11,13)
InChIKeyFSNPOKUFMMBMPZ-UHFFFAOYSA-N
XLogP2.40
TPSA64.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol?
The IUPAC name of 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol (CID 87839524) is 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol.
What is the SMILES notation for 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol?
The canonical SMILES for 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol is Cc1nc(C)c(S)c(-c2sc(N)nc2C)n1.
What is the InChIKey of 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol?
The InChIKey is FSNPOKUFMMBMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c1-4-8(15)7(14-6(3)12-4)9-5(2)13-10(11)16-9/h15H,1-3H3,(H2,11,13).
What are the key properties of 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol?
4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol has a molecular weight of 252.37 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-2,6-dimethylpyrimidine-5-thiol is sourced from PubChem (CID 87839524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).