4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine

C13H16N4O — CID 2849003

IUPAC4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine
SMILESCC(=NNc1nc(C)cc(C)n1)c1ccc(C)o1
InChIInChI=1S/C13H16N4O/c1-8-7-9(2)15-13(14-8)17-16-11(4)12-6-5-10(3)18-12/h5-7H,1-4H3,(H,14,15,17)
InChIKeyVFXLQGLEVRJXOZ-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.83
Rot. Bonds3

About 4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine

4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine (PubChem CID 2849003) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine
PubChem CID2849003
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine
SMILESCC(=NNc1nc(C)cc(C)n1)c1ccc(C)o1
InChIInChI=1S/C13H16N4O/c1-8-7-9(2)15-13(14-8)17-16-11(4)12-6-5-10(3)18-12/h5-7H,1-4H3,(H,14,15,17)
InChIKeyVFXLQGLEVRJXOZ-UHFFFAOYSA-N
XLogP2.83
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine (CID 2849003) is 4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine is CC(=NNc1nc(C)cc(C)n1)c1ccc(C)o1.
What is the InChIKey of 4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine?
The InChIKey is VFXLQGLEVRJXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-7-9(2)15-13(14-8)17-16-11(4)12-6-5-10(3)18-12/h5-7H,1-4H3,(H,14,15,17).
What are the key properties of 4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine?
4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 2849003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).