5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine

C13H18N4S — CID 50952187

IUPAC5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCCc1nc(CNc2nc(C)ncc2CC)cs1
InChIInChI=1S/C13H18N4S/c1-4-10-6-14-9(3)16-13(10)15-7-11-8-18-12(5-2)17-11/h6,8H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyNQONWYOYXKHCNL-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.98
Rot. Bonds5

About 5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine

5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 50952187) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine
PubChem CID50952187
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCCc1nc(CNc2nc(C)ncc2CC)cs1
InChIInChI=1S/C13H18N4S/c1-4-10-6-14-9(3)16-13(10)15-7-11-8-18-12(5-2)17-11/h6,8H,4-5,7H2,1-3H3,(H,14,15,16)
InChIKeyNQONWYOYXKHCNL-UHFFFAOYSA-N
XLogP2.98
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine (CID 50952187) is 5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine is CCc1nc(CNc2nc(C)ncc2CC)cs1.
What is the InChIKey of 5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is NQONWYOYXKHCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-4-10-6-14-9(3)16-13(10)15-7-11-8-18-12(5-2)17-11/h6,8H,4-5,7H2,1-3H3,(H,14,15,16).
What are the key properties of 5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine?
5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 262.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 50952187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).