4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine

C9H11N5S — CID 155315773

IUPAC4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCNc1nccc(-c2sc(N)nc2C)n1
InChIInChI=1S/C9H11N5S/c1-5-7(15-8(10)13-5)6-3-4-12-9(11-2)14-6/h3-4H,1-2H3,(H2,10,13)(H,11,12,14)
InChIKeyARHWCYJRHSLIHL-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.53
Rot. Bonds2

About 4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine

4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 155315773) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID155315773
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCNc1nccc(-c2sc(N)nc2C)n1
InChIInChI=1S/C9H11N5S/c1-5-7(15-8(10)13-5)6-3-4-12-9(11-2)14-6/h3-4H,1-2H3,(H2,10,13)(H,11,12,14)
InChIKeyARHWCYJRHSLIHL-UHFFFAOYSA-N
XLogP1.53
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 155315773) is 4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine is CNc1nccc(-c2sc(N)nc2C)n1.
What is the InChIKey of 4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is ARHWCYJRHSLIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c1-5-7(15-8(10)13-5)6-3-4-12-9(11-2)14-6/h3-4H,1-2H3,(H2,10,13)(H,11,12,14).
What are the key properties of 4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 221.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155315773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).