6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine

C14H19N3O — CID 62202771

IUPAC6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2ccc(C)o2)n1
InChIInChI=1S/C14H19N3O/c1-9-6-7-10(18-9)13-16-11(14(2,3)4)8-12(15-5)17-13/h6-8H,1-5H3,(H,15,16,17)
InChIKeyIAGFOSLCYBWVSD-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.38
Rot. Bonds2

About 6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine

6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine (PubChem CID 62202771) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
PubChem CID62202771
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine
SMILESCNc1cc(C(C)(C)C)nc(-c2ccc(C)o2)n1
InChIInChI=1S/C14H19N3O/c1-9-6-7-10(18-9)13-16-11(14(2,3)4)8-12(15-5)17-13/h6-8H,1-5H3,(H,15,16,17)
InChIKeyIAGFOSLCYBWVSD-UHFFFAOYSA-N
XLogP3.38
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine (CID 62202771) is 6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine is CNc1cc(C(C)(C)C)nc(-c2ccc(C)o2)n1.
What is the InChIKey of 6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine?
The InChIKey is IAGFOSLCYBWVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-6-7-10(18-9)13-16-11(14(2,3)4)8-12(15-5)17-13/h6-8H,1-5H3,(H,15,16,17).
What are the key properties of 6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine?
6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-methyl-2-(5-methylfuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 62202771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).