N-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine

C11H13N3O — CID 60732345

IUPACN-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCc2ccco2)nc(C)n1
InChIInChI=1S/C11H13N3O/c1-8-6-11(14-9(2)13-8)12-7-10-4-3-5-15-10/h3-6H,7H2,1-2H3,(H,12,13,14)
InChIKeyUBMSHQGHJLLIOB-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.30
Rot. Bonds3

About N-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine

N-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine (PubChem CID 60732345) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine
PubChem CID60732345
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCc2ccco2)nc(C)n1
InChIInChI=1S/C11H13N3O/c1-8-6-11(14-9(2)13-8)12-7-10-4-3-5-15-10/h3-6H,7H2,1-2H3,(H,12,13,14)
InChIKeyUBMSHQGHJLLIOB-UHFFFAOYSA-N
XLogP2.30
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine (CID 60732345) is N-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine is Cc1cc(NCc2ccco2)nc(C)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine?
The InChIKey is UBMSHQGHJLLIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-6-11(14-9(2)13-8)12-7-10-4-3-5-15-10/h3-6H,7H2,1-2H3,(H,12,13,14).
What are the key properties of N-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine?
N-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine has a molecular weight of 203.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 60732345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).