5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine

C13H13Cl2FN4 — CID 171782361

IUPAC5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine
SMILESCCc1ncnc(NCCc2ncc(Cl)cc2F)c1Cl
InChIInChI=1S/C13H13Cl2FN4/c1-2-10-12(15)13(20-7-19-10)17-4-3-11-9(16)5-8(14)6-18-11/h5-7H,2-4H2,1H3,(H,17,19,20)
InChIKeyUCSFVPBPXCOBLK-UHFFFAOYSA-N
MW315.18 g/mol
LogP3.53
Rot. Bonds5

About 5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine

5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine (PubChem CID 171782361) has the molecular formula C13H13Cl2FN4 and a molecular weight of 315.18 g/mol. Its IUPAC name is 5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine
PubChem CID171782361
Molecular FormulaC13H13Cl2FN4
Molecular Weight315.18 g/mol
Exact Mass314.05
IUPAC Name5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine
SMILESCCc1ncnc(NCCc2ncc(Cl)cc2F)c1Cl
InChIInChI=1S/C13H13Cl2FN4/c1-2-10-12(15)13(20-7-19-10)17-4-3-11-9(16)5-8(14)6-18-11/h5-7H,2-4H2,1H3,(H,17,19,20)
InChIKeyUCSFVPBPXCOBLK-UHFFFAOYSA-N
XLogP3.53
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine (CID 171782361) is 5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine is CCc1ncnc(NCCc2ncc(Cl)cc2F)c1Cl.
What is the InChIKey of 5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine?
The InChIKey is UCSFVPBPXCOBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2FN4/c1-2-10-12(15)13(20-7-19-10)17-4-3-11-9(16)5-8(14)6-18-11/h5-7H,2-4H2,1H3,(H,17,19,20).
What are the key properties of 5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine?
5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine has a molecular weight of 315.18 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 171782361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).