5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine

C11H14N4S — CID 154404014

IUPAC5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1ncc(Cc2sc(C)nc2C)c(N)n1
InChIInChI=1S/C11H14N4S/c1-6-10(16-8(3)14-6)4-9-5-13-7(2)15-11(9)12/h5H,4H2,1-3H3,(H2,12,13,15)
InChIKeyGFRVFXRMXBTPMH-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.03
Rot. Bonds2

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

5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 154404014) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine
PubChem CID154404014
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCc1ncc(Cc2sc(C)nc2C)c(N)n1
InChIInChI=1S/C11H14N4S/c1-6-10(16-8(3)14-6)4-9-5-13-7(2)15-11(9)12/h5H,4H2,1-3H3,(H2,12,13,15)
InChIKeyGFRVFXRMXBTPMH-UHFFFAOYSA-N
XLogP2.03
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine (CID 154404014) is 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine is Cc1ncc(Cc2sc(C)nc2C)c(N)n1.
What is the InChIKey of 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is GFRVFXRMXBTPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-6-10(16-8(3)14-6)4-9-5-13-7(2)15-11(9)12/h5H,4H2,1-3H3,(H2,12,13,15).
What are the key properties of 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine?
5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 234.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 154404014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).