N-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine

C11H13N3O2 — CID 80858921

IUPACN-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine
SMILESCCNc1cc(OCc2ccco2)ncn1
InChIInChI=1S/C11H13N3O2/c1-2-12-10-6-11(14-8-13-10)16-7-9-4-3-5-15-9/h3-6,8H,2,7H2,1H3,(H,12,13,14)
InChIKeyZFKGUTCFYJBCJG-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.08
Rot. Bonds5

About N-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine

N-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine (PubChem CID 80858921) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine
PubChem CID80858921
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine
SMILESCCNc1cc(OCc2ccco2)ncn1
InChIInChI=1S/C11H13N3O2/c1-2-12-10-6-11(14-8-13-10)16-7-9-4-3-5-15-9/h3-6,8H,2,7H2,1H3,(H,12,13,14)
InChIKeyZFKGUTCFYJBCJG-UHFFFAOYSA-N
XLogP2.08
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine (CID 80858921) is N-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine is CCNc1cc(OCc2ccco2)ncn1.
What is the InChIKey of N-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine?
The InChIKey is ZFKGUTCFYJBCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-12-10-6-11(14-8-13-10)16-7-9-4-3-5-15-9/h3-6,8H,2,7H2,1H3,(H,12,13,14).
What are the key properties of N-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine?
N-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine has a molecular weight of 219.24 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(furan-2-ylmethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80858921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).