5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine

C14H15ClN6 — CID 87179929

IUPAC5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine
SMILESCCC(C)n1cnc2c(-c3ccc(N)nc3)nc(Cl)nc21
InChIInChI=1S/C14H15ClN6/c1-3-8(2)21-7-18-12-11(19-14(15)20-13(12)21)9-4-5-10(16)17-6-9/h4-8H,3H2,1-2H3,(H2,16,17)
InChIKeyRYFORYASSJQPIS-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.09
Rot. Bonds3

About 5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine

5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine (PubChem CID 87179929) has the molecular formula C14H15ClN6 and a molecular weight of 302.77 g/mol. Its IUPAC name is 5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine
PubChem CID87179929
Molecular FormulaC14H15ClN6
Molecular Weight302.77 g/mol
Exact Mass302.10
IUPAC Name5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine
SMILESCCC(C)n1cnc2c(-c3ccc(N)nc3)nc(Cl)nc21
InChIInChI=1S/C14H15ClN6/c1-3-8(2)21-7-18-12-11(19-14(15)20-13(12)21)9-4-5-10(16)17-6-9/h4-8H,3H2,1-2H3,(H2,16,17)
InChIKeyRYFORYASSJQPIS-UHFFFAOYSA-N
XLogP3.09
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine?
The IUPAC name of 5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine (CID 87179929) is 5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine.
What is the SMILES notation for 5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine?
The canonical SMILES for 5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine is CCC(C)n1cnc2c(-c3ccc(N)nc3)nc(Cl)nc21.
What is the InChIKey of 5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine?
The InChIKey is RYFORYASSJQPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6/c1-3-8(2)21-7-18-12-11(19-14(15)20-13(12)21)9-4-5-10(16)17-6-9/h4-8H,3H2,1-2H3,(H2,16,17).
What are the key properties of 5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine?
5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine has a molecular weight of 302.77 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-butan-2-yl-2-chloropurin-6-yl)pyridin-2-amine is sourced from PubChem (CID 87179929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).