N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methoxypyrimidin-4-amine

C11H14FN5O — CID 59728160

IUPACN-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methoxypyrimidin-4-amine
SMILESCCN(Cc1cnc[nH]1)c1nc(OC)ncc1F
InChIInChI=1S/C11H14FN5O/c1-3-17(6-8-4-13-7-15-8)10-9(12)5-14-11(16-10)18-2/h4-5,7H,3,6H2,1-2H3,(H,13,15)
InChIKeyAETVUFNAHHUEIS-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.37
Rot. Bonds5

About N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methoxypyrimidin-4-amine

N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methoxypyrimidin-4-amine (PubChem CID 59728160) has the molecular formula C11H14FN5O and a molecular weight of 251.26 g/mol. Its IUPAC name is N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methoxypyrimidin-4-amine
PubChem CID59728160
Molecular FormulaC11H14FN5O
Molecular Weight251.26 g/mol
Exact Mass251.12
IUPAC NameN-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methoxypyrimidin-4-amine
SMILESCCN(Cc1cnc[nH]1)c1nc(OC)ncc1F
InChIInChI=1S/C11H14FN5O/c1-3-17(6-8-4-13-7-15-8)10-9(12)5-14-11(16-10)18-2/h4-5,7H,3,6H2,1-2H3,(H,13,15)
InChIKeyAETVUFNAHHUEIS-UHFFFAOYSA-N
XLogP1.37
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methoxypyrimidin-4-amine?
The IUPAC name of N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methoxypyrimidin-4-amine (CID 59728160) is N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methoxypyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methoxypyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methoxypyrimidin-4-amine is CCN(Cc1cnc[nH]1)c1nc(OC)ncc1F.
What is the InChIKey of N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methoxypyrimidin-4-amine?
The InChIKey is AETVUFNAHHUEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O/c1-3-17(6-8-4-13-7-15-8)10-9(12)5-14-11(16-10)18-2/h4-5,7H,3,6H2,1-2H3,(H,13,15).
What are the key properties of N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methoxypyrimidin-4-amine?
N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methoxypyrimidin-4-amine has a molecular weight of 251.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methoxypyrimidin-4-amine is sourced from PubChem (CID 59728160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).