4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine

C12H17N5S — CID 133461292

IUPAC4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1cc(NCc2csc(NC)n2)nc(C)n1
InChIInChI=1S/C12H17N5S/c1-4-9-5-11(16-8(2)15-9)14-6-10-7-18-12(13-3)17-10/h5,7H,4,6H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyUVPARZHGPGPDEU-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.46
Rot. Bonds5

About 4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine

4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 133461292) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID133461292
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCCc1cc(NCc2csc(NC)n2)nc(C)n1
InChIInChI=1S/C12H17N5S/c1-4-9-5-11(16-8(2)15-9)14-6-10-7-18-12(13-3)17-10/h5,7H,4,6H2,1-3H3,(H,13,17)(H,14,15,16)
InChIKeyUVPARZHGPGPDEU-UHFFFAOYSA-N
XLogP2.46
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine (CID 133461292) is 4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine is CCc1cc(NCc2csc(NC)n2)nc(C)n1.
What is the InChIKey of 4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is UVPARZHGPGPDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-4-9-5-11(16-8(2)15-9)14-6-10-7-18-12(13-3)17-10/h5,7H,4,6H2,1-3H3,(H,13,17)(H,14,15,16).
What are the key properties of 4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine?
4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-ethyl-2-methylpyrimidin-4-yl)amino]methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 133461292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).