2,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H27N5 — CID 110430692

IUPAC2,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC2CC(C)(C)NC(C)(C)C2)c2cc(C)[nH]c2n1
InChIInChI=1S/C17H27N5/c1-10-7-13-14(18-10)19-11(2)20-15(13)21-12-8-16(3,4)22-17(5,6)9-12/h7,12,22H,8-9H2,1-6H3,(H2,18,19,20,21)
InChIKeyOMXPHTNDGJCMGM-UHFFFAOYSA-N
MW301.44 g/mol
LogP3.30
Rot. Bonds2

About 2,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430692) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430692
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name2,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NC2CC(C)(C)NC(C)(C)C2)c2cc(C)[nH]c2n1
InChIInChI=1S/C17H27N5/c1-10-7-13-14(18-10)19-11(2)20-15(13)21-12-8-16(3,4)22-17(5,6)9-12/h7,12,22H,8-9H2,1-6H3,(H2,18,19,20,21)
InChIKeyOMXPHTNDGJCMGM-UHFFFAOYSA-N
XLogP3.30
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430692) is 2,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(NC2CC(C)(C)NC(C)(C)C2)c2cc(C)[nH]c2n1.
What is the InChIKey of 2,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OMXPHTNDGJCMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-10-7-13-14(18-10)19-11(2)20-15(13)21-12-8-16(3,4)22-17(5,6)9-12/h7,12,22H,8-9H2,1-6H3,(H2,18,19,20,21).
What are the key properties of 2,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 301.44 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).