2,5,6-trimethyl-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine

C14H21N5 — CID 83023026

IUPAC2,5,6-trimethyl-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(N3CCCCC3)c2n1
InChIInChI=1S/C14H21N5/c1-9-10(2)19(18-7-5-4-6-8-18)14-12(9)13(15)16-11(3)17-14/h4-8H2,1-3H3,(H2,15,16,17)
InChIKeyXHOFHMRQOBBDCC-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.06
Rot. Bonds1

About 2,5,6-trimethyl-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine

2,5,6-trimethyl-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 83023026) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2,5,6-trimethyl-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trimethyl-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID83023026
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2,5,6-trimethyl-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(N3CCCCC3)c2n1
InChIInChI=1S/C14H21N5/c1-9-10(2)19(18-7-5-4-6-8-18)14-12(9)13(15)16-11(3)17-14/h4-8H2,1-3H3,(H2,15,16,17)
InChIKeyXHOFHMRQOBBDCC-UHFFFAOYSA-N
XLogP2.06
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.06
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-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,5,6-trimethyl-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 83023026) is 2,5,6-trimethyl-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trimethyl-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,5,6-trimethyl-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(N)c2c(C)c(C)n(N3CCCCC3)c2n1.
What is the InChIKey of 2,5,6-trimethyl-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is XHOFHMRQOBBDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-9-10(2)19(18-7-5-4-6-8-18)14-12(9)13(15)16-11(3)17-14/h4-8H2,1-3H3,(H2,15,16,17).
What are the key properties of 2,5,6-trimethyl-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine?
2,5,6-trimethyl-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.06, 1 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-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 83023026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).