(4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine

C6H8FN5 — CID 126756043

IUPAC(4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine
SMILESCN1C(F)=NC(N)=C2NC=N[C@@H]21
InChIInChI=1S/C6H8FN5/c1-12-5-3(9-2-10-5)4(8)11-6(12)7/h2,5H,8H2,1H3,(H,9,10)/t5-/m1/s1
InChIKeyKLSPYZGUROSGLH-RXMQYKEDSA-N
MW169.16 g/mol
LogP-0.66
Rot. Bonds

About (4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine

(4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine (PubChem CID 126756043) has the molecular formula C6H8FN5 and a molecular weight of 169.16 g/mol. Its IUPAC name is (4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine.

Molecular Properties

Compound Name(4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine
PubChem CID126756043
Molecular FormulaC6H8FN5
Molecular Weight169.16 g/mol
Exact Mass169.08
IUPAC Name(4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine
SMILESCN1C(F)=NC(N)=C2NC=N[C@@H]21
InChIInChI=1S/C6H8FN5/c1-12-5-3(9-2-10-5)4(8)11-6(12)7/h2,5H,8H2,1H3,(H,9,10)/t5-/m1/s1
InChIKeyKLSPYZGUROSGLH-RXMQYKEDSA-N
XLogP-0.66
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine?
The IUPAC name of (4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine (CID 126756043) is (4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine.
What is the SMILES notation for (4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine?
The canonical SMILES for (4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine is CN1C(F)=NC(N)=C2NC=N[C@@H]21.
What is the InChIKey of (4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine?
The InChIKey is KLSPYZGUROSGLH-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8FN5/c1-12-5-3(9-2-10-5)4(8)11-6(12)7/h2,5H,8H2,1H3,(H,9,10)/t5-/m1/s1.
What are the key properties of (4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine?
(4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine has a molecular weight of 169.16 g/mol, XLogP of -0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-fluoro-3-methyl-4,7-dihydropurin-6-amine is sourced from PubChem (CID 126756043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).