2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine

C14H17N3O — CID 66281069

IUPAC2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine
SMILESCc1cnc(N(Cc2ccco2)C2CC2)c(N)c1
InChIInChI=1S/C14H17N3O/c1-10-7-13(15)14(16-8-10)17(11-4-5-11)9-12-3-2-6-18-12/h2-3,6-8,11H,4-5,9,15H2,1H3
InChIKeyUPNKXWRDWGKJRI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.73
Rot. Bonds4

About 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine

2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine (PubChem CID 66281069) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine
PubChem CID66281069
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine
SMILESCc1cnc(N(Cc2ccco2)C2CC2)c(N)c1
InChIInChI=1S/C14H17N3O/c1-10-7-13(15)14(16-8-10)17(11-4-5-11)9-12-3-2-6-18-12/h2-3,6-8,11H,4-5,9,15H2,1H3
InChIKeyUPNKXWRDWGKJRI-UHFFFAOYSA-N
XLogP2.73
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine
CID 115773896
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80814460
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
CID 107926140
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine
CID 55031150
6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79827765
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64622852
2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 62343468
2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine
CID 80658148
3-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-amine
CID 81050858
6-(1-aminopropyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-3-amine
CID 115939467

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine (CID 66281069) is 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine is Cc1cnc(N(Cc2ccco2)C2CC2)c(N)c1.
What is the InChIKey of 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine?
The InChIKey is UPNKXWRDWGKJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-7-13(15)14(16-8-10)17(11-4-5-11)9-12-3-2-6-18-12/h2-3,6-8,11H,4-5,9,15H2,1H3.
What are the key properties of 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine?
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine is sourced from PubChem (CID 66281069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).