N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine

C12H13FN4O — CID 104739182

IUPACN-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine
SMILESCCNc1ncnc(-c2ccncc2F)c1OC
InChIInChI=1S/C12H13FN4O/c1-3-15-12-11(18-2)10(16-7-17-12)8-4-5-14-6-9(8)13/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyDRBDQIFGPVXTGL-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.12
Rot. Bonds4

About N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine

N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine (PubChem CID 104739182) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine
PubChem CID104739182
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC NameN-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine
SMILESCCNc1ncnc(-c2ccncc2F)c1OC
InChIInChI=1S/C12H13FN4O/c1-3-15-12-11(18-2)10(16-7-17-12)8-4-5-14-6-9(8)13/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyDRBDQIFGPVXTGL-UHFFFAOYSA-N
XLogP2.12
TPSA59.93 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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine (CID 104739182) is N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine is CCNc1ncnc(-c2ccncc2F)c1OC.
What is the InChIKey of N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine?
The InChIKey is DRBDQIFGPVXTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-3-15-12-11(18-2)10(16-7-17-12)8-4-5-14-6-9(8)13/h4-7H,3H2,1-2H3,(H,15,16,17).
What are the key properties of N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine?
N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine has a molecular weight of 248.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-fluoro-4-pyridinyl)-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 104739182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).