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

C12H16N4O2S — CID 138050725

IUPAC4-methoxy-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,6-dimethylpyrimidin-2-amine
SMILESCOc1cc(CN(C)c2nc(C)cc(OC)n2)sn1
InChIInChI=1S/C12H16N4O2S/c1-8-5-10(17-3)14-12(13-8)16(2)7-9-6-11(18-4)15-19-9/h5-6H,7H2,1-4H3
InChIKeyLZCXBLWLVZIJMA-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.90
Rot. Bonds5

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

4-methoxy-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,6-dimethylpyrimidin-2-amine (PubChem CID 138050725) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-methoxy-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,6-dimethylpyrimidin-2-amine
PubChem CID138050725
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-methoxy-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,6-dimethylpyrimidin-2-amine
SMILESCOc1cc(CN(C)c2nc(C)cc(OC)n2)sn1
InChIInChI=1S/C12H16N4O2S/c1-8-5-10(17-3)14-12(13-8)16(2)7-9-6-11(18-4)15-19-9/h5-6H,7H2,1-4H3
InChIKeyLZCXBLWLVZIJMA-UHFFFAOYSA-N
XLogP1.90
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,6-dimethylpyrimidin-2-amine (CID 138050725) is 4-methoxy-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,6-dimethylpyrimidin-2-amine is COc1cc(CN(C)c2nc(C)cc(OC)n2)sn1.
What is the InChIKey of 4-methoxy-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,6-dimethylpyrimidin-2-amine?
The InChIKey is LZCXBLWLVZIJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8-5-10(17-3)14-12(13-8)16(2)7-9-6-11(18-4)15-19-9/h5-6H,7H2,1-4H3.
What are the key properties of 4-methoxy-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,6-dimethylpyrimidin-2-amine?
4-methoxy-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,6-dimethylpyrimidin-2-amine has a molecular weight of 280.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3-methoxy-1,2-thiazol-5-yl)methyl]-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 138050725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).