6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine

C11H13N3O — CID 80646710

IUPAC6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine
SMILESCc1ccc(CNc2cccc(N)n2)o1
InChIInChI=1S/C11H13N3O/c1-8-5-6-9(15-8)7-13-11-4-2-3-10(12)14-11/h2-6H,7H2,1H3,(H3,12,13,14)
InChIKeyTWYITSGNQTUFHQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.18
Rot. Bonds3

About 6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine

6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine (PubChem CID 80646710) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine
PubChem CID80646710
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine
SMILESCc1ccc(CNc2cccc(N)n2)o1
InChIInChI=1S/C11H13N3O/c1-8-5-6-9(15-8)7-13-11-4-2-3-10(12)14-11/h2-6H,7H2,1H3,(H3,12,13,14)
InChIKeyTWYITSGNQTUFHQ-UHFFFAOYSA-N
XLogP2.18
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80832161
3-N-[(5-methylfuran-2-yl)methyl]benzene-1,3-diamine
CID 62525026
6-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,6-diamine
CID 80646818
6-N-[2-(methylamino)ethyl]pyridine-2,6-diamine
CID 10888283
2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958124
2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 62523397
2-N-[(5-methylfuran-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80827784
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
6-N-[(3-methyl-4-pyridinyl)methyl]pyridine-2,6-diamine
CID 114702189
methyl 4-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate
CID 66284657
2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine
CID 24987488
2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 113332915

Frequently Asked Questions

What is the IUPAC name of 6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine (CID 80646710) is 6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine is Cc1ccc(CNc2cccc(N)n2)o1.
What is the InChIKey of 6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine?
The InChIKey is TWYITSGNQTUFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-5-6-9(15-8)7-13-11-4-2-3-10(12)14-11/h2-6H,7H2,1H3,(H3,12,13,14).
What are the key properties of 6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine?
6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine has a molecular weight of 203.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 80646710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).