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

C12H16N4S — CID 55162820

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NC(C)c2sc(C)nc2C)nc1
InChIInChI=1S/C12H16N4S/c1-7-5-13-12(14-6-7)16-9(3)11-8(2)15-10(4)17-11/h5-6,9H,1-4H3,(H,13,14,16)
InChIKeyOOPLUZCIGVGSPU-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.03
Rot. Bonds3

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine (PubChem CID 55162820) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine
PubChem CID55162820
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(NC(C)c2sc(C)nc2C)nc1
InChIInChI=1S/C12H16N4S/c1-7-5-13-12(14-6-7)16-9(3)11-8(2)15-10(4)17-11/h5-6,9H,1-4H3,(H,13,14,16)
InChIKeyOOPLUZCIGVGSPU-UHFFFAOYSA-N
XLogP3.03
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine (CID 55162820) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine is Cc1cnc(NC(C)c2sc(C)nc2C)nc1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine?
The InChIKey is OOPLUZCIGVGSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-7-5-13-12(14-6-7)16-9(3)11-8(2)15-10(4)17-11/h5-6,9H,1-4H3,(H,13,14,16).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 55162820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).