9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine

C24H22N8 — CID 168994694

IUPAC9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine
SMILESCC(C)n1cnc2c(NCc3ccc(-c4ccncc4)cn3)nc(-c3cccnc3)nc21
InChIInChI=1S/C24H22N8/c1-16(2)32-15-29-21-23(30-22(31-24(21)32)19-4-3-9-26-12-19)28-14-20-6-5-18(13-27-20)17-7-10-25-11-8-17/h3-13,15-16H,14H2,1-2H3,(H,28,30,31)
InChIKeyPVMASIPZVUEYFB-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.54
Rot. Bonds6

About 9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine

9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine (PubChem CID 168994694) has the molecular formula C24H22N8 and a molecular weight of 422.50 g/mol. Its IUPAC name is 9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine.

Molecular Properties

Compound Name9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine
PubChem CID168994694
Molecular FormulaC24H22N8
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Name9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine
SMILESCC(C)n1cnc2c(NCc3ccc(-c4ccncc4)cn3)nc(-c3cccnc3)nc21
InChIInChI=1S/C24H22N8/c1-16(2)32-15-29-21-23(30-22(31-24(21)32)19-4-3-9-26-12-19)28-14-20-6-5-18(13-27-20)17-7-10-25-11-8-17/h3-13,15-16H,14H2,1-2H3,(H,28,30,31)
InChIKeyPVMASIPZVUEYFB-UHFFFAOYSA-N
XLogP4.54
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine?
The IUPAC name of 9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine (CID 168994694) is 9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine.
What is the SMILES notation for 9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine?
The canonical SMILES for 9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine is CC(C)n1cnc2c(NCc3ccc(-c4ccncc4)cn3)nc(-c3cccnc3)nc21.
What is the InChIKey of 9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine?
The InChIKey is PVMASIPZVUEYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8/c1-16(2)32-15-29-21-23(30-22(31-24(21)32)19-4-3-9-26-12-19)28-14-20-6-5-18(13-27-20)17-7-10-25-11-8-17/h3-13,15-16H,14H2,1-2H3,(H,28,30,31).
What are the key properties of 9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine?
9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine has a molecular weight of 422.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-2-pyridin-3-yl-N-[(5-pyridin-4-yl-2-pyridinyl)methyl]purin-6-amine is sourced from PubChem (CID 168994694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).