2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine

C12H13FN4O — CID 113447341

IUPAC2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine
SMILESCCOCc1nc(N)cc(-c2ccncc2F)n1
InChIInChI=1S/C12H13FN4O/c1-2-18-7-12-16-10(5-11(14)17-12)8-3-4-15-6-9(8)13/h3-6H,2,7H2,1H3,(H2,14,16,17)
InChIKeySPUWDGDXGUESSY-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.80
Rot. Bonds4

About 2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine

2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine (PubChem CID 113447341) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine
PubChem CID113447341
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine
SMILESCCOCc1nc(N)cc(-c2ccncc2F)n1
InChIInChI=1S/C12H13FN4O/c1-2-18-7-12-16-10(5-11(14)17-12)8-3-4-15-6-9(8)13/h3-6H,2,7H2,1H3,(H2,14,16,17)
InChIKeySPUWDGDXGUESSY-UHFFFAOYSA-N
XLogP1.80
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethoxymethyl)-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 103132094
4-chloro-6-(3-fluoro-4-pyridinyl)-2-methylpyrimidine
CID 104739149
4-chloro-6-(2-chloro-4-fluorophenyl)-2-(ethoxymethyl)pyrimidine
CID 113401165
4-[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]oxy-3-fluorobenzonitrile
CID 107669716
2-(chloromethyl)-4-(3-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
CID 136658243
4-N-cyclopentyl-2-(ethoxymethyl)pyrimidine-4,6-diamine
CID 113401294
1-[5-(3-fluoro-4-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 64955720
2-(ethoxymethyl)-4-N-(3-methylpentan-3-yl)pyrimidine-4,6-diamine
CID 114174651
6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine
CID 80936673
6-(1-ethyl-5-fluoropyrazol-4-yl)pyrimidine-2,4-diamine
CID 167921753
2-(ethoxymethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-4,6-diamine
CID 106219460
ethyl 5-acetyl-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carboxylate
CID 107376630

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine (CID 113447341) is 2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine is CCOCc1nc(N)cc(-c2ccncc2F)n1.
What is the InChIKey of 2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine?
The InChIKey is SPUWDGDXGUESSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-2-18-7-12-16-10(5-11(14)17-12)8-3-4-15-6-9(8)13/h3-6H,2,7H2,1H3,(H2,14,16,17).
What are the key properties of 2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine?
2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine has a molecular weight of 248.26 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-6-(3-fluoro-4-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 113447341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).