2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C13H15N5O — CID 106420804

IUPAC2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(Cc3ccno3)c2n1
InChIInChI=1S/C13H15N5O/c1-7-8(2)18(6-10-4-5-15-19-10)13-11(7)12(14)16-9(3)17-13/h4-5H,6H2,1-3H3,(H2,14,16,17)
InChIKeyXBSHMWQRJUNHBZ-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.98
Rot. Bonds2

About 2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine

2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 106420804) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID106420804
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(Cc3ccno3)c2n1
InChIInChI=1S/C13H15N5O/c1-7-8(2)18(6-10-4-5-15-19-10)13-11(7)12(14)16-9(3)17-13/h4-5H,6H2,1-3H3,(H2,14,16,17)
InChIKeyXBSHMWQRJUNHBZ-UHFFFAOYSA-N
XLogP1.98
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.98
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-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 106420804) is 2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(N)c2c(C)c(C)n(Cc3ccno3)c2n1.
What is the InChIKey of 2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is XBSHMWQRJUNHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-7-8(2)18(6-10-4-5-15-19-10)13-11(7)12(14)16-9(3)17-13/h4-5H,6H2,1-3H3,(H2,14,16,17).
What are the key properties of 2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 257.30 g/mol, XLogP of 1.98, 2 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-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106420804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).