7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine

C21H19N5 — CID 11152013

IUPAC7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESc1ccc(-n2ccc3cnc(Nc4cccc5c4CCCC5)nc32)nc1
InChIInChI=1S/C21H19N5/c1-2-8-17-15(6-1)7-5-9-18(17)24-21-23-14-16-11-13-26(20(16)25-21)19-10-3-4-12-22-19/h3-5,7,9-14H,1-2,6,8H2,(H,23,24,25)
InChIKeyDDHPCGBORXFZEH-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.44
Rot. Bonds3

About 7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine

7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11152013) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11152013
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESc1ccc(-n2ccc3cnc(Nc4cccc5c4CCCC5)nc32)nc1
InChIInChI=1S/C21H19N5/c1-2-8-17-15(6-1)7-5-9-18(17)24-21-23-14-16-11-13-26(20(16)25-21)19-10-3-4-12-22-19/h3-5,7,9-14H,1-2,6,8H2,(H,23,24,25)
InChIKeyDDHPCGBORXFZEH-UHFFFAOYSA-N
XLogP4.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 11152013) is 7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine is c1ccc(-n2ccc3cnc(Nc4cccc5c4CCCC5)nc32)nc1.
What is the InChIKey of 7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is DDHPCGBORXFZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-2-8-17-15(6-1)7-5-9-18(17)24-21-23-14-16-11-13-26(20(16)25-21)19-10-3-4-12-22-19/h3-5,7,9-14H,1-2,6,8H2,(H,23,24,25).
What are the key properties of 7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine?
7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 341.42 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11152013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).