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

C13H17N3O — CID 43690485

IUPAC2-N,2-N-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]pyridine-2,5-diamine
SMILESCc1ccc(CNc2ccc(N(C)C)nc2)o1
InChIInChI=1S/C13H17N3O/c1-10-4-6-12(17-10)9-14-11-5-7-13(15-8-11)16(2)3/h4-8,14H,9H2,1-3H3
InChIKeyKJVYINGAPAKYHB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.66
Rot. Bonds4

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

2-N,2-N-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]pyridine-2,5-diamine (PubChem CID 43690485) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]pyridine-2,5-diamine
PubChem CID43690485
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-N,2-N-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]pyridine-2,5-diamine
SMILESCc1ccc(CNc2ccc(N(C)C)nc2)o1
InChIInChI=1S/C13H17N3O/c1-10-4-6-12(17-10)9-14-11-5-7-13(15-8-11)16(2)3/h4-8,14H,9H2,1-3H3
InChIKeyKJVYINGAPAKYHB-UHFFFAOYSA-N
XLogP2.66
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]pyridine-2,5-diamine (CID 43690485) is 2-N,2-N-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]pyridine-2,5-diamine is Cc1ccc(CNc2ccc(N(C)C)nc2)o1.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]pyridine-2,5-diamine?
The InChIKey is KJVYINGAPAKYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-4-6-12(17-10)9-14-11-5-7-13(15-8-11)16(2)3/h4-8,14H,9H2,1-3H3.
What are the key properties of 2-N,2-N-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]pyridine-2,5-diamine?
2-N,2-N-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]pyridine-2,5-diamine has a molecular weight of 231.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 43690485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).