6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine

C12H15N3O — CID 80952634

IUPAC6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2ccco2)nc(C(C)C)n1
InChIInChI=1S/C12H15N3O/c1-8(2)12-14-9(7-11(13-3)15-12)10-5-4-6-16-10/h4-8H,1-3H3,(H,13,14,15)
InChIKeyZHOYJZYGCRBHEI-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.90
Rot. Bonds3

About 6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine

6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80952634) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80952634
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(-c2ccco2)nc(C(C)C)n1
InChIInChI=1S/C12H15N3O/c1-8(2)12-14-9(7-11(13-3)15-12)10-5-4-6-16-10/h4-8H,1-3H3,(H,13,14,15)
InChIKeyZHOYJZYGCRBHEI-UHFFFAOYSA-N
XLogP2.90
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80952634) is 6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine is CNc1cc(-c2ccco2)nc(C(C)C)n1.
What is the InChIKey of 6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZHOYJZYGCRBHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(2)12-14-9(7-11(13-3)15-12)10-5-4-6-16-10/h4-8H,1-3H3,(H,13,14,15).
What are the key properties of 6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 217.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80952634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).