2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine

C8H8N4S — CID 67175888

IUPAC2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
SMILESCc1nc(-c2nccc(N)n2)cs1
InChIInChI=1S/C8H8N4S/c1-5-11-6(4-13-5)8-10-3-2-7(9)12-8/h2-4H,1H3,(H2,9,10,12)
InChIKeyHJEKUVLVPGAXDL-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.49
Rot. Bonds1

About 2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine

2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine (PubChem CID 67175888) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
PubChem CID67175888
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
SMILESCc1nc(-c2nccc(N)n2)cs1
InChIInChI=1S/C8H8N4S/c1-5-11-6(4-13-5)8-10-3-2-7(9)12-8/h2-4H,1H3,(H2,9,10,12)
InChIKeyHJEKUVLVPGAXDL-UHFFFAOYSA-N
XLogP1.49
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine (CID 67175888) is 2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine is Cc1nc(-c2nccc(N)n2)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine?
The InChIKey is HJEKUVLVPGAXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-5-11-6(4-13-5)8-10-3-2-7(9)12-8/h2-4H,1H3,(H2,9,10,12).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine?
2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine has a molecular weight of 192.25 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 67175888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).