2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine

C15H16Cl2FN5O — CID 87758271

IUPAC2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESFc1ccc(CCNc2nc(Cl)nc(N3CCOCC3)c2Cl)nc1
InChIInChI=1S/C15H16Cl2FN5O/c16-12-13(19-4-3-11-2-1-10(18)9-20-11)21-15(17)22-14(12)23-5-7-24-8-6-23/h1-2,9H,3-8H2,(H,19,21,22)
InChIKeyAMOQKDVVKQZFSN-UHFFFAOYSA-N
MW372.23 g/mol
LogP2.81
Rot. Bonds5

About 2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine

2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 87758271) has the molecular formula C15H16Cl2FN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID87758271
Molecular FormulaC15H16Cl2FN5O
Molecular Weight372.23 g/mol
Exact Mass371.07
IUPAC Name2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESFc1ccc(CCNc2nc(Cl)nc(N3CCOCC3)c2Cl)nc1
InChIInChI=1S/C15H16Cl2FN5O/c16-12-13(19-4-3-11-2-1-10(18)9-20-11)21-15(17)22-14(12)23-5-7-24-8-6-23/h1-2,9H,3-8H2,(H,19,21,22)
InChIKeyAMOQKDVVKQZFSN-UHFFFAOYSA-N
XLogP2.81
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine (CID 87758271) is 2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine is Fc1ccc(CCNc2nc(Cl)nc(N3CCOCC3)c2Cl)nc1.
What is the InChIKey of 2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is AMOQKDVVKQZFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2FN5O/c16-12-13(19-4-3-11-2-1-10(18)9-20-11)21-15(17)22-14(12)23-5-7-24-8-6-23/h1-2,9H,3-8H2,(H,19,21,22).
What are the key properties of 2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine?
2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 372.23 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(5-fluoro-2-pyridinyl)ethyl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 87758271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).