2-N-[1-(2-fluoroethyl)pyrrolidin-3-yl]-6-methoxypyridine-2,5-diamine

C12H19FN4O — CID 135268039

IUPAC2-N-[1-(2-fluoroethyl)pyrrolidin-3-yl]-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(NC2CCN(CCF)C2)ccc1N
InChIInChI=1S/C12H19FN4O/c1-18-12-10(14)2-3-11(16-12)15-9-4-6-17(8-9)7-5-13/h2-3,9H,4-8,14H2,1H3,(H,15,16)
InChIKeyKKUMDAGANFEIMM-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.13
Rot. Bonds5

About 2-N-[1-(2-fluoroethyl)pyrrolidin-3-yl]-6-methoxypyridine-2,5-diamine

2-N-[1-(2-fluoroethyl)pyrrolidin-3-yl]-6-methoxypyridine-2,5-diamine (PubChem CID 135268039) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-N-[1-(2-fluoroethyl)pyrrolidin-3-yl]-6-methoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[1-(2-fluoroethyl)pyrrolidin-3-yl]-6-methoxypyridine-2,5-diamine
PubChem CID135268039
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name2-N-[1-(2-fluoroethyl)pyrrolidin-3-yl]-6-methoxypyridine-2,5-diamine
SMILESCOc1nc(NC2CCN(CCF)C2)ccc1N
InChIInChI=1S/C12H19FN4O/c1-18-12-10(14)2-3-11(16-12)15-9-4-6-17(8-9)7-5-13/h2-3,9H,4-8,14H2,1H3,(H,15,16)
InChIKeyKKUMDAGANFEIMM-UHFFFAOYSA-N
XLogP1.13
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methoxy-2-methylamino-3-aminopyridine dihydrochloride
CID 5743759
1-(6-Methoxypyridin-2-yl)piperazine
CID 12200470
6-methoxy-2-N-methylpyridine-2,3-diamine
CID 5743760
1-[4-(3-Amino-6-methoxypyridin-2-yl)piperazin-1-yl]ethan-1-one
CID 47003077
N-[2-Methoxy-6-(4-methylpiperazin-1-yl)pyridin-3-yl]prop-2-enamide
CID 137931039
2-Methoxy-6-(morpholin-4-yl)pyridin-3-amine
CID 12152132
N,N-dimethyl-2-[(6-piperazin-1-yl-2-pyridinyl)oxy]ethanamine
CID 13795747
N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]acetamide
CID 52845163
6-methoxy-N2,N2-dimethylpyridine-2,5-diamine
CID 43260741
6-methoxy-4-methyl-1H,2H,3H,4H-pyrido(2,3-b)pyrazine
CID 55252713
N2-(2,2-Dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine
CID 58001800
6-Methoxy-3-nitro-N-propylpyridin-2-amine
CID 3023912

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-fluoroethyl)pyrrolidin-3-yl]-6-methoxypyridine-2,5-diamine?
The IUPAC name of 2-N-[1-(2-fluoroethyl)pyrrolidin-3-yl]-6-methoxypyridine-2,5-diamine (CID 135268039) is 2-N-[1-(2-fluoroethyl)pyrrolidin-3-yl]-6-methoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-[1-(2-fluoroethyl)pyrrolidin-3-yl]-6-methoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-[1-(2-fluoroethyl)pyrrolidin-3-yl]-6-methoxypyridine-2,5-diamine is COc1nc(NC2CCN(CCF)C2)ccc1N.
What is the InChIKey of 2-N-[1-(2-fluoroethyl)pyrrolidin-3-yl]-6-methoxypyridine-2,5-diamine?
The InChIKey is KKUMDAGANFEIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4O/c1-18-12-10(14)2-3-11(16-12)15-9-4-6-17(8-9)7-5-13/h2-3,9H,4-8,14H2,1H3,(H,15,16).
What are the key properties of 2-N-[1-(2-fluoroethyl)pyrrolidin-3-yl]-6-methoxypyridine-2,5-diamine?
2-N-[1-(2-fluoroethyl)pyrrolidin-3-yl]-6-methoxypyridine-2,5-diamine has a molecular weight of 254.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-fluoroethyl)pyrrolidin-3-yl]-6-methoxypyridine-2,5-diamine is sourced from PubChem (CID 135268039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).