2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine

C12H15N3O — CID 62203835

IUPAC2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2ccc(C)o2)n1
InChIInChI=1S/C12H15N3O/c1-3-7-13-11-6-8-14-12(15-11)10-5-4-9(2)16-10/h4-6,8H,3,7H2,1-2H3,(H,13,14,15)
InChIKeyIWPMGLQTNGFMNE-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.87
Rot. Bonds4

About 2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine

2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 62203835) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine
PubChem CID62203835
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2ccc(C)o2)n1
InChIInChI=1S/C12H15N3O/c1-3-7-13-11-6-8-14-12(15-11)10-5-4-9(2)16-10/h4-6,8H,3,7H2,1-2H3,(H,13,14,15)
InChIKeyIWPMGLQTNGFMNE-UHFFFAOYSA-N
XLogP2.87
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine (CID 62203835) is 2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine is CCCNc1ccnc(-c2ccc(C)o2)n1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is IWPMGLQTNGFMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-7-13-11-6-8-14-12(15-11)10-5-4-9(2)16-10/h4-6,8H,3,7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine?
2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 217.27 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 62203835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).