6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine

C14H15ClN6 — CID 16736767

IUPAC6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine
SMILESCc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1C
InChIInChI=1S/C14H15ClN6/c1-7-4-17-10(9(3)8(7)2)5-21-6-18-11-12(15)19-14(16)20-13(11)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
InChIKeyOOPLEVVGBATVMA-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.43
Rot. Bonds2

About 6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine

6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine (PubChem CID 16736767) has the molecular formula C14H15ClN6 and a molecular weight of 302.77 g/mol. Its IUPAC name is 6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine
PubChem CID16736767
Molecular FormulaC14H15ClN6
Molecular Weight302.77 g/mol
Exact Mass302.10
IUPAC Name6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine
SMILESCc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1C
InChIInChI=1S/C14H15ClN6/c1-7-4-17-10(9(3)8(7)2)5-21-6-18-11-12(15)19-14(16)20-13(11)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
InChIKeyOOPLEVVGBATVMA-UHFFFAOYSA-N
XLogP2.43
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine?
The IUPAC name of 6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine (CID 16736767) is 6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine is Cc1cnc(Cn2cnc3c(Cl)nc(N)nc32)c(C)c1C.
What is the InChIKey of 6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine?
The InChIKey is OOPLEVVGBATVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6/c1-7-4-17-10(9(3)8(7)2)5-21-6-18-11-12(15)19-14(16)20-13(11)21/h4,6H,5H2,1-3H3,(H2,16,19,20).
What are the key properties of 6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine?
6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine has a molecular weight of 302.77 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(3,4,5-trimethyl-2-pyridinyl)methyl]purin-2-amine is sourced from PubChem (CID 16736767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).