2-[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine

C12H19FN4O — CID 125435567

IUPAC2-[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
SMILESCOc1nc(N2CCC[C@@H](CCN)C2)ncc1F
InChIInChI=1S/C12H19FN4O/c1-18-11-10(13)7-15-12(16-11)17-6-2-3-9(8-17)4-5-14/h7,9H,2-6,8,14H2,1H3/t9-/m0/s1
InChIKeyXVKIGBFUEKGOKD-VIFPVBQESA-N
MW254.31 g/mol
LogP1.19
Rot. Bonds4

About 2-[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine

2-[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine (PubChem CID 125435567) has the molecular formula C12H19FN4O and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
PubChem CID125435567
Molecular FormulaC12H19FN4O
Molecular Weight254.31 g/mol
Exact Mass254.15
IUPAC Name2-[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
SMILESCOc1nc(N2CCC[C@@H](CCN)C2)ncc1F
InChIInChI=1S/C12H19FN4O/c1-18-11-10(13)7-15-12(16-11)17-6-2-3-9(8-17)4-5-14/h7,9H,2-6,8,14H2,1H3/t9-/m0/s1
InChIKeyXVKIGBFUEKGOKD-VIFPVBQESA-N
XLogP1.19
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-Bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide
CID 72107527
2-[4-(4-Ethylpiperazin-1-YL)piperidin-1-YL]-5-fluoro-4-methoxypyrimidine
CID 129616047
5-fluoro-4-methoxy-N-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 164630566
2-Piperidyl-4-methoxy-5-fluoropyrimidine
CID 129785523
N-{[1-(Dimethylamino)cyclopentyl]methyl}-5-fluoro-4-methoxypyrimidin-2-amine
CID 124217019
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 125446685
4-ethoxy-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
CID 125447536
4-Methoxy-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrimidine
CID 126835232
N-[2-(4-Ethylpiperidin-1-YL)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129608927
5-fluoro-N-[(1-isobutylpiperidin-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 129619994
5-fluoro-4-methoxy-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyrimidin-2-amine
CID 129621022
N-[(1-acetylpiperidin-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 129621793

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine (CID 125435567) is 2-[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine is COc1nc(N2CCC[C@@H](CCN)C2)ncc1F.
What is the InChIKey of 2-[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine?
The InChIKey is XVKIGBFUEKGOKD-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19FN4O/c1-18-11-10(13)7-15-12(16-11)17-6-2-3-9(8-17)4-5-14/h7,9H,2-6,8,14H2,1H3/t9-/m0/s1.
What are the key properties of 2-[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine?
2-[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine has a molecular weight of 254.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 125435567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).