N'-(4-amino-5,8-difluoro-2-methylpyrido[3,4-d]pyrimidin-6-yl)ethanimidamide

C10H10F2N6 — CID 177486439

IUPACN'-(4-amino-5,8-difluoro-2-methylpyrido[3,4-d]pyrimidin-6-yl)ethanimidamide
SMILESC/C(N)=N/c1nc(F)c2nc(C)nc(N)c2c1F
InChIInChI=1S/C10H10F2N6/c1-3(13)15-10-6(11)5-7(8(12)18-10)16-4(2)17-9(5)14/h1-2H3,(H2,13,15,18)(H2,14,16,17)
InChIKeyLJHMEDWFHSBGOD-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.20
Rot. Bonds1

About N'-(4-amino-5,8-difluoro-2-methylpyrido[3,4-d]pyrimidin-6-yl)ethanimidamide

N'-(4-amino-5,8-difluoro-2-methylpyrido[3,4-d]pyrimidin-6-yl)ethanimidamide (PubChem CID 177486439) has the molecular formula C10H10F2N6 and a molecular weight of 252.23 g/mol. Its IUPAC name is N'-(4-amino-5,8-difluoro-2-methylpyrido[3,4-d]pyrimidin-6-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(4-amino-5,8-difluoro-2-methylpyrido[3,4-d]pyrimidin-6-yl)ethanimidamide
PubChem CID177486439
Molecular FormulaC10H10F2N6
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC NameN'-(4-amino-5,8-difluoro-2-methylpyrido[3,4-d]pyrimidin-6-yl)ethanimidamide
SMILESC/C(N)=N/c1nc(F)c2nc(C)nc(N)c2c1F
InChIInChI=1S/C10H10F2N6/c1-3(13)15-10-6(11)5-7(8(12)18-10)16-4(2)17-9(5)14/h1-2H3,(H2,13,15,18)(H2,14,16,17)
InChIKeyLJHMEDWFHSBGOD-UHFFFAOYSA-N
XLogP1.20
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-5,8-difluoro-2-methylpyrido[3,4-d]pyrimidin-6-yl)ethanimidamide?
The IUPAC name of N'-(4-amino-5,8-difluoro-2-methylpyrido[3,4-d]pyrimidin-6-yl)ethanimidamide (CID 177486439) is N'-(4-amino-5,8-difluoro-2-methylpyrido[3,4-d]pyrimidin-6-yl)ethanimidamide.
What is the SMILES notation for N'-(4-amino-5,8-difluoro-2-methylpyrido[3,4-d]pyrimidin-6-yl)ethanimidamide?
The canonical SMILES for N'-(4-amino-5,8-difluoro-2-methylpyrido[3,4-d]pyrimidin-6-yl)ethanimidamide is C/C(N)=N/c1nc(F)c2nc(C)nc(N)c2c1F.
What is the InChIKey of N'-(4-amino-5,8-difluoro-2-methylpyrido[3,4-d]pyrimidin-6-yl)ethanimidamide?
The InChIKey is LJHMEDWFHSBGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N6/c1-3(13)15-10-6(11)5-7(8(12)18-10)16-4(2)17-9(5)14/h1-2H3,(H2,13,15,18)(H2,14,16,17).
What are the key properties of N'-(4-amino-5,8-difluoro-2-methylpyrido[3,4-d]pyrimidin-6-yl)ethanimidamide?
N'-(4-amino-5,8-difluoro-2-methylpyrido[3,4-d]pyrimidin-6-yl)ethanimidamide has a molecular weight of 252.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-5,8-difluoro-2-methylpyrido[3,4-d]pyrimidin-6-yl)ethanimidamide is sourced from PubChem (CID 177486439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).