2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine

C14H17N5S — CID 63823912

IUPAC2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(CCc3cscn3)c2n1
InChIInChI=1S/C14H17N5S/c1-8-9(2)19(5-4-11-6-20-7-16-11)14-12(8)13(15)17-10(3)18-14/h6-7H,4-5H2,1-3H3,(H2,15,17,18)
InChIKeyOAHHHTLWLSJCBD-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.64
Rot. Bonds3

About 2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine

2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 63823912) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID63823912
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(CCc3cscn3)c2n1
InChIInChI=1S/C14H17N5S/c1-8-9(2)19(5-4-11-6-20-7-16-11)14-12(8)13(15)17-10(3)18-14/h6-7H,4-5H2,1-3H3,(H2,15,17,18)
InChIKeyOAHHHTLWLSJCBD-UHFFFAOYSA-N
XLogP2.64
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 63823912) is 2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(N)c2c(C)c(C)n(CCc3cscn3)c2n1.
What is the InChIKey of 2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OAHHHTLWLSJCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-8-9(2)19(5-4-11-6-20-7-16-11)14-12(8)13(15)17-10(3)18-14/h6-7H,4-5H2,1-3H3,(H2,15,17,18).
What are the key properties of 2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine?
2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 287.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-7-[2-(1,3-thiazol-4-yl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63823912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).