3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine

C11H13N3O — CID 104804566

IUPAC3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine
SMILESCc1ccoc1C(N)c1cnccc1N
InChIInChI=1S/C11H13N3O/c1-7-3-5-15-11(7)10(13)8-6-14-4-2-9(8)12/h2-6,10H,13H2,1H3,(H2,12,14)
InChIKeyWDDUXLCPDWVQCK-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.61
Rot. Bonds2

About 3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine

3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine (PubChem CID 104804566) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine
PubChem CID104804566
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine
SMILESCc1ccoc1C(N)c1cnccc1N
InChIInChI=1S/C11H13N3O/c1-7-3-5-15-11(7)10(13)8-6-14-4-2-9(8)12/h2-6,10H,13H2,1H3,(H2,12,14)
InChIKeyWDDUXLCPDWVQCK-UHFFFAOYSA-N
XLogP1.61
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[amino-(3-methylfuran-2-yl)methyl]pyridin-2-amine
CID 104804433
2-(4-amino-3-pyridinyl)-1-(3-methylfuran-2-yl)ethanol
CID 104800650
3-[amino-(4-bromo-2-methylphenyl)methyl]pyridin-4-amine
CID 103083620
(4-methyl-3-pyridinyl)-(1,3-oxazol-2-yl)methanamine
CID 82404635
N-[(3-methylfuran-2-yl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 104806165
(2-ethoxyphenyl)-(3-methylfuran-2-yl)methanamine
CID 113455148
(4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine
CID 104804459
3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine
CID 106848437
3-(furan-2-yl)-1-(4-methyl-3-pyridinyl)propan-1-amine
CID 105164227
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
(4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine
CID 79596963
furan-3-yl-(3-methylfuran-2-yl)methanamine
CID 104804500

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine (CID 104804566) is 3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine is Cc1ccoc1C(N)c1cnccc1N.
What is the InChIKey of 3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine?
The InChIKey is WDDUXLCPDWVQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7-3-5-15-11(7)10(13)8-6-14-4-2-9(8)12/h2-6,10H,13H2,1H3,(H2,12,14).
What are the key properties of 3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine?
3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine has a molecular weight of 203.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 104804566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).