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

C13H18N4OS — CID 138050715

IUPAC4-ethyl-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine
SMILESCCc1cc(C)nc(N(C)Cc2csnc2OC)n1
InChIInChI=1S/C13H18N4OS/c1-5-11-6-9(2)14-13(15-11)17(3)7-10-8-19-16-12(10)18-4/h6,8H,5,7H2,1-4H3
InChIKeyDDUGPSKUMRLWNC-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.45
Rot. Bonds5

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

4-ethyl-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine (PubChem CID 138050715) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-ethyl-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine
PubChem CID138050715
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-ethyl-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine
SMILESCCc1cc(C)nc(N(C)Cc2csnc2OC)n1
InChIInChI=1S/C13H18N4OS/c1-5-11-6-9(2)14-13(15-11)17(3)7-10-8-19-16-12(10)18-4/h6,8H,5,7H2,1-4H3
InChIKeyDDUGPSKUMRLWNC-UHFFFAOYSA-N
XLogP2.45
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-ethyl-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine (CID 138050715) is 4-ethyl-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-ethyl-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine is CCc1cc(C)nc(N(C)Cc2csnc2OC)n1.
What is the InChIKey of 4-ethyl-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine?
The InChIKey is DDUGPSKUMRLWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-5-11-6-9(2)14-13(15-11)17(3)7-10-8-19-16-12(10)18-4/h6,8H,5,7H2,1-4H3.
What are the key properties of 4-ethyl-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine?
4-ethyl-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine has a molecular weight of 278.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(3-methoxy-1,2-thiazol-4-yl)methyl]-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 138050715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).