2,6-dimethyl-5-(methylamino)pyrimidine-4-carboximidoyl fluoride

C8H11FN4 — CID 144577886

IUPAC2,6-dimethyl-5-(methylamino)pyrimidine-4-carboximidoyl fluoride
SMILES[H]/N=C(\F)c1nc(C)nc(C)c1NC
InChIInChI=1S/C8H11FN4/c1-4-6(11-3)7(8(9)10)13-5(2)12-4/h10-11H,1-3H3/b10-8-
InChIKeySUNKLAJJZJMABW-NTMALXAHSA-N
MW182.20 g/mol
LogP1.43
Rot. Bonds2

About 2,6-dimethyl-5-(methylamino)pyrimidine-4-carboximidoyl fluoride

2,6-dimethyl-5-(methylamino)pyrimidine-4-carboximidoyl fluoride (PubChem CID 144577886) has the molecular formula C8H11FN4 and a molecular weight of 182.20 g/mol. Its IUPAC name is 2,6-dimethyl-5-(methylamino)pyrimidine-4-carboximidoyl fluoride.

Molecular Properties

Compound Name2,6-dimethyl-5-(methylamino)pyrimidine-4-carboximidoyl fluoride
PubChem CID144577886
Molecular FormulaC8H11FN4
Molecular Weight182.20 g/mol
Exact Mass182.10
IUPAC Name2,6-dimethyl-5-(methylamino)pyrimidine-4-carboximidoyl fluoride
SMILES[H]/N=C(\F)c1nc(C)nc(C)c1NC
InChIInChI=1S/C8H11FN4/c1-4-6(11-3)7(8(9)10)13-5(2)12-4/h10-11H,1-3H3/b10-8-
InChIKeySUNKLAJJZJMABW-NTMALXAHSA-N
XLogP1.43
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
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 2,6-dimethyl-5-(methylamino)pyrimidine-4-carboximidoyl fluoride?
The IUPAC name of 2,6-dimethyl-5-(methylamino)pyrimidine-4-carboximidoyl fluoride (CID 144577886) is 2,6-dimethyl-5-(methylamino)pyrimidine-4-carboximidoyl fluoride.
What is the SMILES notation for 2,6-dimethyl-5-(methylamino)pyrimidine-4-carboximidoyl fluoride?
The canonical SMILES for 2,6-dimethyl-5-(methylamino)pyrimidine-4-carboximidoyl fluoride is [H]/N=C(\F)c1nc(C)nc(C)c1NC.
What is the InChIKey of 2,6-dimethyl-5-(methylamino)pyrimidine-4-carboximidoyl fluoride?
The InChIKey is SUNKLAJJZJMABW-NTMALXAHSA-N. The full InChI is InChI=1S/C8H11FN4/c1-4-6(11-3)7(8(9)10)13-5(2)12-4/h10-11H,1-3H3/b10-8-.
What are the key properties of 2,6-dimethyl-5-(methylamino)pyrimidine-4-carboximidoyl fluoride?
2,6-dimethyl-5-(methylamino)pyrimidine-4-carboximidoyl fluoride has a molecular weight of 182.20 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-(methylamino)pyrimidine-4-carboximidoyl fluoride is sourced from PubChem (CID 144577886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).