5-fluoro-4-methoxy-N-[2-(oxan-3-yl)ethyl]pyrimidin-2-amine

C12H18FN3O2 — CID 122571483

IUPAC5-fluoro-4-methoxy-N-[2-(oxan-3-yl)ethyl]pyrimidin-2-amine
SMILESCOc1nc(NCCC2CCCOC2)ncc1F
InChIInChI=1S/C12H18FN3O2/c1-17-11-10(13)7-15-12(16-11)14-5-4-9-3-2-6-18-8-9/h7,9H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyAKCQCIDCURDJBY-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.85
Rot. Bonds5

About 5-fluoro-4-methoxy-N-[2-(oxan-3-yl)ethyl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-[2-(oxan-3-yl)ethyl]pyrimidin-2-amine (PubChem CID 122571483) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[2-(oxan-3-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[2-(oxan-3-yl)ethyl]pyrimidin-2-amine
PubChem CID122571483
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name5-fluoro-4-methoxy-N-[2-(oxan-3-yl)ethyl]pyrimidin-2-amine
SMILESCOc1nc(NCCC2CCCOC2)ncc1F
InChIInChI=1S/C12H18FN3O2/c1-17-11-10(13)7-15-12(16-11)14-5-4-9-3-2-6-18-8-9/h7,9H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyAKCQCIDCURDJBY-UHFFFAOYSA-N
XLogP1.85
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(5-Fluoro-4-methoxy-2-pyrimidinyl)-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72896260
(1-{[(5-Fluoro-4-methoxypyrimidin-2-YL)amino]methyl}cyclopentyl)methanol
CID 122560704
N-[3-(Cyclopentyloxy)propyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 122561710
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
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
N-[[1-(dimethylamino)cyclohexyl]methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 131893391
5-fluoro-4-methoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pyrimidin-2-amine
CID 131927817
N-[[(2S,3R)-5,5-difluoro-3-methylpiperidin-2-yl]methyl]-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
CID 130298675

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[2-(oxan-3-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[2-(oxan-3-yl)ethyl]pyrimidin-2-amine (CID 122571483) is 5-fluoro-4-methoxy-N-[2-(oxan-3-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[2-(oxan-3-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[2-(oxan-3-yl)ethyl]pyrimidin-2-amine is COc1nc(NCCC2CCCOC2)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-[2-(oxan-3-yl)ethyl]pyrimidin-2-amine?
The InChIKey is AKCQCIDCURDJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-17-11-10(13)7-15-12(16-11)14-5-4-9-3-2-6-18-8-9/h7,9H,2-6,8H2,1H3,(H,14,15,16).
What are the key properties of 5-fluoro-4-methoxy-N-[2-(oxan-3-yl)ethyl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[2-(oxan-3-yl)ethyl]pyrimidin-2-amine has a molecular weight of 255.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[2-(oxan-3-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 122571483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).