4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine

C11H14N4O — CID 102556284

IUPAC4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)c2ccco2)nc(N)n1
InChIInChI=1S/C11H14N4O/c1-7-6-10(15-11(12)13-7)14-8(2)9-4-3-5-16-9/h3-6,8H,1-2H3,(H3,12,13,14,15)
InChIKeyYEFSHERBIJVOPE-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.13
Rot. Bonds3

About 4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine

4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 102556284) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine
PubChem CID102556284
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)c2ccco2)nc(N)n1
InChIInChI=1S/C11H14N4O/c1-7-6-10(15-11(12)13-7)14-8(2)9-4-3-5-16-9/h3-6,8H,1-2H3,(H3,12,13,14,15)
InChIKeyYEFSHERBIJVOPE-UHFFFAOYSA-N
XLogP2.13
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine (CID 102556284) is 4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine is Cc1cc(NC(C)c2ccco2)nc(N)n1.
What is the InChIKey of 4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is YEFSHERBIJVOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-6-10(15-11(12)13-7)14-8(2)9-4-3-5-16-9/h3-6,8H,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine?
4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 218.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(furan-2-yl)ethyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 102556284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).