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

C14H20N4O — CID 43337004

IUPAC2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(CC3CCCO3)c2n1
InChIInChI=1S/C14H20N4O/c1-8-9(2)18(7-11-5-4-6-19-11)14-12(8)13(15)16-10(3)17-14/h11H,4-7H2,1-3H3,(H2,15,16,17)
InChIKeyPOFZTKXQDUSELF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.12
Rot. Bonds2

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

2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 43337004) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID43337004
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(CC3CCCO3)c2n1
InChIInChI=1S/C14H20N4O/c1-8-9(2)18(7-11-5-4-6-19-11)14-12(8)13(15)16-10(3)17-14/h11H,4-7H2,1-3H3,(H2,15,16,17)
InChIKeyPOFZTKXQDUSELF-UHFFFAOYSA-N
XLogP2.12
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 43337004) is 2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(N)c2c(C)c(C)n(CC3CCCO3)c2n1.
What is the InChIKey of 2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is POFZTKXQDUSELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-8-9(2)18(7-11-5-4-6-19-11)14-12(8)13(15)16-10(3)17-14/h11H,4-7H2,1-3H3,(H2,15,16,17).
What are the key properties of 2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 260.34 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-7-(oxolan-2-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43337004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).