6-fluoro-5-(methyliminomethyl)pyrimidin-4-amine

C6H7FN4 — CID 118363542

IUPAC6-fluoro-5-(methyliminomethyl)pyrimidin-4-amine
SMILESC/N=C/c1c(N)ncnc1F
InChIInChI=1S/C6H7FN4/c1-9-2-4-5(7)10-3-11-6(4)8/h2-3H,1H3,(H2,8,10,11)/b9-2+
InChIKeyTUPBPNUZMIFQGD-XNWCZRBMSA-N
MW154.15 g/mol
LogP0.25
Rot. Bonds1

About 6-fluoro-5-(methyliminomethyl)pyrimidin-4-amine

6-fluoro-5-(methyliminomethyl)pyrimidin-4-amine (PubChem CID 118363542) has the molecular formula C6H7FN4 and a molecular weight of 154.15 g/mol. Its IUPAC name is 6-fluoro-5-(methyliminomethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-5-(methyliminomethyl)pyrimidin-4-amine
PubChem CID118363542
Molecular FormulaC6H7FN4
Molecular Weight154.15 g/mol
Exact Mass154.07
IUPAC Name6-fluoro-5-(methyliminomethyl)pyrimidin-4-amine
SMILESC/N=C/c1c(N)ncnc1F
InChIInChI=1S/C6H7FN4/c1-9-2-4-5(7)10-3-11-6(4)8/h2-3H,1H3,(H2,8,10,11)/b9-2+
InChIKeyTUPBPNUZMIFQGD-XNWCZRBMSA-N
XLogP0.25
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(methyliminomethyl)pyrimidin-4-amine?
The IUPAC name of 6-fluoro-5-(methyliminomethyl)pyrimidin-4-amine (CID 118363542) is 6-fluoro-5-(methyliminomethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-5-(methyliminomethyl)pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-5-(methyliminomethyl)pyrimidin-4-amine is C/N=C/c1c(N)ncnc1F.
What is the InChIKey of 6-fluoro-5-(methyliminomethyl)pyrimidin-4-amine?
The InChIKey is TUPBPNUZMIFQGD-XNWCZRBMSA-N. The full InChI is InChI=1S/C6H7FN4/c1-9-2-4-5(7)10-3-11-6(4)8/h2-3H,1H3,(H2,8,10,11)/b9-2+.
What are the key properties of 6-fluoro-5-(methyliminomethyl)pyrimidin-4-amine?
6-fluoro-5-(methyliminomethyl)pyrimidin-4-amine has a molecular weight of 154.15 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(methyliminomethyl)pyrimidin-4-amine is sourced from PubChem (CID 118363542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).