2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine

C15H17FN6 — CID 59279636

IUPAC2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine
SMILESCc1ccc(CNc2nc(F)nc3c2ncn3C(C)C)cn1
InChIInChI=1S/C15H17FN6/c1-9(2)22-8-19-12-13(20-15(16)21-14(12)22)18-7-11-5-4-10(3)17-6-11/h4-6,8-9H,7H2,1-3H3,(H,18,20,21)
InChIKeyQVZYJSUBGXEBBR-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.86
Rot. Bonds4

About 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine

2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine (PubChem CID 59279636) has the molecular formula C15H17FN6 and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine.

Molecular Properties

Compound Name2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine
PubChem CID59279636
Molecular FormulaC15H17FN6
Molecular Weight300.34 g/mol
Exact Mass300.15
IUPAC Name2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine
SMILESCc1ccc(CNc2nc(F)nc3c2ncn3C(C)C)cn1
InChIInChI=1S/C15H17FN6/c1-9(2)22-8-19-12-13(20-15(16)21-14(12)22)18-7-11-5-4-10(3)17-6-11/h4-6,8-9H,7H2,1-3H3,(H,18,20,21)
InChIKeyQVZYJSUBGXEBBR-UHFFFAOYSA-N
XLogP2.86
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine?
The IUPAC name of 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine (CID 59279636) is 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine.
What is the SMILES notation for 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine?
The canonical SMILES for 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine is Cc1ccc(CNc2nc(F)nc3c2ncn3C(C)C)cn1.
What is the InChIKey of 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine?
The InChIKey is QVZYJSUBGXEBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6/c1-9(2)22-8-19-12-13(20-15(16)21-14(12)22)18-7-11-5-4-10(3)17-6-11/h4-6,8-9H,7H2,1-3H3,(H,18,20,21).
What are the key properties of 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine?
2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine has a molecular weight of 300.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]-9-propan-2-ylpurin-6-amine is sourced from PubChem (CID 59279636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).