2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]pyrimidin-4-amine

C12H11Cl2FN4O — CID 87758269

IUPAC2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]pyrimidin-4-amine
SMILESCOCC(Nc1cc(Cl)nc(Cl)n1)c1ccc(F)cn1
InChIInChI=1S/C12H11Cl2FN4O/c1-20-6-9(8-3-2-7(15)5-16-8)17-11-4-10(13)18-12(14)19-11/h2-5,9H,6H2,1H3,(H,17,18,19)
InChIKeyZTIBAZMIJFKXGU-UHFFFAOYSA-N
MW317.15 g/mol
LogP3.12
Rot. Bonds5

About 2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]pyrimidin-4-amine

2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]pyrimidin-4-amine (PubChem CID 87758269) has the molecular formula C12H11Cl2FN4O and a molecular weight of 317.15 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]pyrimidin-4-amine
PubChem CID87758269
Molecular FormulaC12H11Cl2FN4O
Molecular Weight317.15 g/mol
Exact Mass316.03
IUPAC Name2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]pyrimidin-4-amine
SMILESCOCC(Nc1cc(Cl)nc(Cl)n1)c1ccc(F)cn1
InChIInChI=1S/C12H11Cl2FN4O/c1-20-6-9(8-3-2-7(15)5-16-8)17-11-4-10(13)18-12(14)19-11/h2-5,9H,6H2,1H3,(H,17,18,19)
InChIKeyZTIBAZMIJFKXGU-UHFFFAOYSA-N
XLogP3.12
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]pyrimidin-4-amine?
The IUPAC name of 2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]pyrimidin-4-amine (CID 87758269) is 2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]pyrimidin-4-amine.
What is the SMILES notation for 2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]pyrimidin-4-amine?
The canonical SMILES for 2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]pyrimidin-4-amine is COCC(Nc1cc(Cl)nc(Cl)n1)c1ccc(F)cn1.
What is the InChIKey of 2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]pyrimidin-4-amine?
The InChIKey is ZTIBAZMIJFKXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2FN4O/c1-20-6-9(8-3-2-7(15)5-16-8)17-11-4-10(13)18-12(14)19-11/h2-5,9H,6H2,1H3,(H,17,18,19).
What are the key properties of 2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]pyrimidin-4-amine?
2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]pyrimidin-4-amine has a molecular weight of 317.15 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(5-fluoro-2-pyridinyl)-2-methoxyethyl]pyrimidin-4-amine is sourced from PubChem (CID 87758269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).