N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxypyrimidin-4-amine

C12H16N4OS — CID 66325990

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC(C)c2sc(C)nc2C)ncn1
InChIInChI=1S/C12H16N4OS/c1-7-12(18-9(3)15-7)8(2)16-10-5-11(17-4)14-6-13-10/h5-6,8H,1-4H3,(H,13,14,16)
InChIKeyFQAHEPBJZCEMRH-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.73
Rot. Bonds4

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxypyrimidin-4-amine

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxypyrimidin-4-amine (PubChem CID 66325990) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxypyrimidin-4-amine
PubChem CID66325990
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC(C)c2sc(C)nc2C)ncn1
InChIInChI=1S/C12H16N4OS/c1-7-12(18-9(3)15-7)8(2)16-10-5-11(17-4)14-6-13-10/h5-6,8H,1-4H3,(H,13,14,16)
InChIKeyFQAHEPBJZCEMRH-UHFFFAOYSA-N
XLogP2.73
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxypyrimidin-4-amine (CID 66325990) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxypyrimidin-4-amine is COc1cc(NC(C)c2sc(C)nc2C)ncn1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxypyrimidin-4-amine?
The InChIKey is FQAHEPBJZCEMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7-12(18-9(3)15-7)8(2)16-10-5-11(17-4)14-6-13-10/h5-6,8H,1-4H3,(H,13,14,16).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxypyrimidin-4-amine?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxypyrimidin-4-amine has a molecular weight of 264.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 66325990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).