N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine

C12H15N3O2 — CID 66325662

IUPACN-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NC(C)c2ccco2)nc(C)n1
InChIInChI=1S/C12H15N3O2/c1-8(10-5-4-6-17-10)13-11-7-12(16-3)15-9(2)14-11/h4-8H,1-3H3,(H,13,14,15)
InChIKeyOSGOAMNLKGCTGG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.56
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine

N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine (PubChem CID 66325662) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
PubChem CID66325662
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine
SMILESCOc1cc(NC(C)c2ccco2)nc(C)n1
InChIInChI=1S/C12H15N3O2/c1-8(10-5-4-6-17-10)13-11-7-12(16-3)15-9(2)14-11/h4-8H,1-3H3,(H,13,14,15)
InChIKeyOSGOAMNLKGCTGG-UHFFFAOYSA-N
XLogP2.56
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine (CID 66325662) is N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine is COc1cc(NC(C)c2ccco2)nc(C)n1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
The InChIKey is OSGOAMNLKGCTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(10-5-4-6-17-10)13-11-7-12(16-3)15-9(2)14-11/h4-8H,1-3H3,(H,13,14,15).
What are the key properties of N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine?
N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine has a molecular weight of 233.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-6-methoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66325662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).