4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine

C10H12N4OS — CID 80858324

IUPAC4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine
SMILESCc1ncsc1CCOc1ccnc(N)n1
InChIInChI=1S/C10H12N4OS/c1-7-8(16-6-13-7)3-5-15-9-2-4-12-10(11)14-9/h2,4,6H,3,5H2,1H3,(H2,11,12,14)
InChIKeyNPQNRUYGRMNOGB-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.45
Rot. Bonds4

About 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine

4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine (PubChem CID 80858324) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine
PubChem CID80858324
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine
SMILESCc1ncsc1CCOc1ccnc(N)n1
InChIInChI=1S/C10H12N4OS/c1-7-8(16-6-13-7)3-5-15-9-2-4-12-10(11)14-9/h2,4,6H,3,5H2,1H3,(H2,11,12,14)
InChIKeyNPQNRUYGRMNOGB-UHFFFAOYSA-N
XLogP1.45
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine (CID 80858324) is 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine is Cc1ncsc1CCOc1ccnc(N)n1.
What is the InChIKey of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine?
The InChIKey is NPQNRUYGRMNOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-7-8(16-6-13-7)3-5-15-9-2-4-12-10(11)14-9/h2,4,6H,3,5H2,1H3,(H2,11,12,14).
What are the key properties of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine?
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine has a molecular weight of 236.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrimidin-2-amine is sourced from PubChem (CID 80858324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).