6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine

C13H16N4O — CID 79827765

IUPAC6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine
SMILESNc1ccc(N(Cc2ccco2)C2CC2)nc1N
InChIInChI=1S/C13H16N4O/c14-11-5-6-12(16-13(11)15)17(9-3-4-9)8-10-2-1-7-18-10/h1-2,5-7,9H,3-4,8,14H2,(H2,15,16)
InChIKeyBEJDAXWBTGOPIE-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.01
Rot. Bonds4

About 6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine

6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine (PubChem CID 79827765) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine
PubChem CID79827765
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine
SMILESNc1ccc(N(Cc2ccco2)C2CC2)nc1N
InChIInChI=1S/C13H16N4O/c14-11-5-6-12(16-13(11)15)17(9-3-4-9)8-10-2-1-7-18-10/h1-2,5-7,9H,3-4,8,14H2,(H2,15,16)
InChIKeyBEJDAXWBTGOPIE-UHFFFAOYSA-N
XLogP2.01
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 62343468
6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine
CID 79828230
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80814460
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
6-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyrazin-2-amine
CID 66466642
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80789824
8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine
CID 103137838
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64622852
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine
CID 66281069
3-[cyclopropyl-(5,6-diamino-2-pyridinyl)amino]propanenitrile
CID 79825815
2-[cyclopropyl(furan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 55003502

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine?
The IUPAC name of 6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine (CID 79827765) is 6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine is Nc1ccc(N(Cc2ccco2)C2CC2)nc1N.
What is the InChIKey of 6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine?
The InChIKey is BEJDAXWBTGOPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-11-5-6-12(16-13(11)15)17(9-3-4-9)8-10-2-1-7-18-10/h1-2,5-7,9H,3-4,8,14H2,(H2,15,16).
What are the key properties of 6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine?
6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine has a molecular weight of 244.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine is sourced from PubChem (CID 79827765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).