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

C13H13Cl2FN4 — CID 171782391

IUPAC5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C)c(Cl)c(NCCc2ncc(Cl)cc2F)n1
InChIInChI=1S/C13H13Cl2FN4/c1-7-12(15)13(20-8(2)19-7)17-4-3-11-10(16)5-9(14)6-18-11/h5-6H,3-4H2,1-2H3,(H,17,19,20)
InChIKeyRVHFEKPTTYVJAU-UHFFFAOYSA-N
MW315.18 g/mol
LogP3.59
Rot. Bonds4

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

5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 171782391) 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]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID171782391
Molecular FormulaC13H13Cl2FN4
Molecular Weight315.18 g/mol
Exact Mass314.05
IUPAC Name5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C)c(Cl)c(NCCc2ncc(Cl)cc2F)n1
InChIInChI=1S/C13H13Cl2FN4/c1-7-12(15)13(20-8(2)19-7)17-4-3-11-10(16)5-9(14)6-18-11/h5-6H,3-4H2,1-2H3,(H,17,19,20)
InChIKeyRVHFEKPTTYVJAU-UHFFFAOYSA-N
XLogP3.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 53.59
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]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine (CID 171782391) is 5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine is Cc1nc(C)c(Cl)c(NCCc2ncc(Cl)cc2F)n1.
What is the InChIKey of 5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is RVHFEKPTTYVJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2FN4/c1-7-12(15)13(20-8(2)19-7)17-4-3-11-10(16)5-9(14)6-18-11/h5-6H,3-4H2,1-2H3,(H,17,19,20).
What are the key properties of 5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine?
5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 315.18 g/mol, XLogP of 3.59, 4 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]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 171782391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).