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

C12H16N4OS — CID 86797841

IUPACN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NCc2nc(C)sc2C)ncn1
InChIInChI=1S/C12H16N4OS/c1-4-17-12-5-11(14-7-15-12)13-6-10-8(2)18-9(3)16-10/h5,7H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyDDFIFKGMHITQBM-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.56
Rot. Bonds5

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

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6-ethoxypyrimidin-4-amine (PubChem CID 86797841) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6-ethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6-ethoxypyrimidin-4-amine
PubChem CID86797841
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NCc2nc(C)sc2C)ncn1
InChIInChI=1S/C12H16N4OS/c1-4-17-12-5-11(14-7-15-12)13-6-10-8(2)18-9(3)16-10/h5,7H,4,6H2,1-3H3,(H,13,14,15)
InChIKeyDDFIFKGMHITQBM-UHFFFAOYSA-N
XLogP2.56
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6-ethoxypyrimidin-4-amine?
The IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6-ethoxypyrimidin-4-amine (CID 86797841) is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6-ethoxypyrimidin-4-amine.
What is the SMILES notation for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6-ethoxypyrimidin-4-amine?
The canonical SMILES for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6-ethoxypyrimidin-4-amine is CCOc1cc(NCc2nc(C)sc2C)ncn1.
What is the InChIKey of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6-ethoxypyrimidin-4-amine?
The InChIKey is DDFIFKGMHITQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-4-17-12-5-11(14-7-15-12)13-6-10-8(2)18-9(3)16-10/h5,7H,4,6H2,1-3H3,(H,13,14,15).
What are the key properties of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6-ethoxypyrimidin-4-amine?
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6-ethoxypyrimidin-4-amine has a molecular weight of 264.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-6-ethoxypyrimidin-4-amine is sourced from PubChem (CID 86797841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).