N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine

C11H9FN6 — CID 171679663

IUPACN-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine
SMILESFc1cnccc1CNc1ncnc2nc[nH]c12
InChIInChI=1S/C11H9FN6/c12-8-4-13-2-1-7(8)3-14-10-9-11(16-5-15-9)18-6-17-10/h1-2,4-6H,3H2,(H2,14,15,16,17,18)
InChIKeyBOJWXKYGWFISKW-UHFFFAOYSA-N
MW244.23 g/mol
LogP1.50
Rot. Bonds3

About N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine

N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine (PubChem CID 171679663) has the molecular formula C11H9FN6 and a molecular weight of 244.23 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine
PubChem CID171679663
Molecular FormulaC11H9FN6
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC NameN-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine
SMILESFc1cnccc1CNc1ncnc2nc[nH]c12
InChIInChI=1S/C11H9FN6/c12-8-4-13-2-1-7(8)3-14-10-9-11(16-5-15-9)18-6-17-10/h1-2,4-6H,3H2,(H2,14,15,16,17,18)
InChIKeyBOJWXKYGWFISKW-UHFFFAOYSA-N
XLogP1.50
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-7H-purin-6-amine
CID 69240317
N-benzyl-7H-purin-6-amine;7H-purine
CID 70256184
N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine
CID 141225548
2-[(7H-purin-6-ylamino)methyl]benzene-1,4-diol
CID 69242422
N-[[8-fluoro-2-(3-methylimidazol-4-yl)quinolin-3-yl]methyl]-7H-purin-6-amine;dihydrochloride
CID 141225547
2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol
CID 69242881
N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 133474798
N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine
CID 60965843
2-[(7H-purin-6-ylamino)methyl]benzenesulfonic acid
CID 87748569
4-amino-2-[(7H-purin-6-ylamino)methyl]phenol
CID 60874727
(7H-purin-6-ylamino)methanol
CID 86209273
4,5-dimethoxy-2-[(7H-purin-6-ylamino)methyl]phenol
CID 123991801

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine (CID 171679663) is N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine is Fc1cnccc1CNc1ncnc2nc[nH]c12.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine?
The InChIKey is BOJWXKYGWFISKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN6/c12-8-4-13-2-1-7(8)3-14-10-9-11(16-5-15-9)18-6-17-10/h1-2,4-6H,3H2,(H2,14,15,16,17,18).
What are the key properties of N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine?
N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine has a molecular weight of 244.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridinyl)methyl]-7H-purin-6-amine is sourced from PubChem (CID 171679663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).