N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine

C15H21N5OS — CID 155589729

IUPACN-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine
SMILESCCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCN)n1
InChIInChI=1S/C15H21N5OS/c1-2-12-18-13(8-14(19-12)21-7-6-16)20-15-17-9-11(22-15)10-4-3-5-10/h8-10H,2-7,16H2,1H3,(H,17,18,19,20)
InChIKeyIWPSEAKJNCPTQC-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.84
Rot. Bonds7

About N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine

N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine (PubChem CID 155589729) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine
PubChem CID155589729
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine
SMILESCCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCN)n1
InChIInChI=1S/C15H21N5OS/c1-2-12-18-13(8-14(19-12)21-7-6-16)20-15-17-9-11(22-15)10-4-3-5-10/h8-10H,2-7,16H2,1H3,(H,17,18,19,20)
InChIKeyIWPSEAKJNCPTQC-UHFFFAOYSA-N
XLogP2.84
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine (CID 155589729) is N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine is CCc1nc(Nc2ncc(C3CCC3)s2)cc(OCCN)n1.
What is the InChIKey of N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine?
The InChIKey is IWPSEAKJNCPTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-2-12-18-13(8-14(19-12)21-7-6-16)20-15-17-9-11(22-15)10-4-3-5-10/h8-10H,2-7,16H2,1H3,(H,17,18,19,20).
What are the key properties of N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine?
N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine has a molecular weight of 319.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoethoxy)-2-ethylpyrimidin-4-yl]-5-cyclobutyl-1,3-thiazol-2-amine is sourced from PubChem (CID 155589729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).