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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Related Compounds

2-fluoro-N-[(4-methoxyphenyl)methyl]-9-propan-2-ylpurin-6-amine
CID 142641893
2-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-9-propan-2-ylpurin-6-amine
CID 58803013
2-chloro-N-[(4-methylphenyl)methyl]-9-propan-2-ylpurin-6-amine
CID 90956369
2-(2-aminopyrimidin-5-yl)-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine
CID 168994712
2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine
CID 140906921
2-azido-9-propan-2-yl-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]purin-6-amine
CID 168994760
N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-methyl-9-propan-2-ylpurin-6-amine
CID 163663761
3-[[9-propan-2-yl-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]purin-2-yl]amino]pentan-2-ol
CID 71053736
1-methyl-N-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 103385596
2-N-[(3R)-2-methylpentan-3-yl]-9-propan-2-yl-6-N-(pyridin-3-ylmethyl)purine-2,6-diamine
CID 91472245
2-[6-[(4-methoxyphenyl)methylamino]-9-propan-2-ylpurin-2-yl]sulfonylethanol
CID 142640760
3-methyl-2-[[6-[(4-methylphenyl)methylamino]-9-propan-2-ylpurin-2-yl]amino]butan-1-ol;sulfane
CID 161351604

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).