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

C12H16N4OS — CID 138050721

IUPACN-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,2,6-trimethylpyrimidin-4-amine
SMILESCOc1nscc1CN(C)c1cc(C)nc(C)n1
InChIInChI=1S/C12H16N4OS/c1-8-5-11(14-9(2)13-8)16(3)6-10-7-18-15-12(10)17-4/h5,7H,6H2,1-4H3
InChIKeyGCXHAJKPCIPZAK-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.19
Rot. Bonds4

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

N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,2,6-trimethylpyrimidin-4-amine (PubChem CID 138050721) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,2,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,2,6-trimethylpyrimidin-4-amine
PubChem CID138050721
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,2,6-trimethylpyrimidin-4-amine
SMILESCOc1nscc1CN(C)c1cc(C)nc(C)n1
InChIInChI=1S/C12H16N4OS/c1-8-5-11(14-9(2)13-8)16(3)6-10-7-18-15-12(10)17-4/h5,7H,6H2,1-4H3
InChIKeyGCXHAJKPCIPZAK-UHFFFAOYSA-N
XLogP2.19
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,2,6-trimethylpyrimidin-4-amine?
The IUPAC name of N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,2,6-trimethylpyrimidin-4-amine (CID 138050721) is N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,2,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,2,6-trimethylpyrimidin-4-amine?
The canonical SMILES for N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,2,6-trimethylpyrimidin-4-amine is COc1nscc1CN(C)c1cc(C)nc(C)n1.
What is the InChIKey of N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,2,6-trimethylpyrimidin-4-amine?
The InChIKey is GCXHAJKPCIPZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-5-11(14-9(2)13-8)16(3)6-10-7-18-15-12(10)17-4/h5,7H,6H2,1-4H3.
What are the key properties of N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,2,6-trimethylpyrimidin-4-amine?
N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,2,6-trimethylpyrimidin-4-amine has a molecular weight of 264.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,2,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 138050721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).