2-chloro-5-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine

C11H15ClFN3 — CID 79351213

IUPAC2-chloro-5-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
SMILESCC1(C)C(Nc2nc(Cl)ncc2F)C1(C)C
InChIInChI=1S/C11H15ClFN3/c1-10(2)8(11(10,3)4)15-7-6(13)5-14-9(12)16-7/h5,8H,1-4H3,(H,14,15,16)
InChIKeyWWDQVZVVZKJJEH-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.12
Rot. Bonds2

About 2-chloro-5-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine (PubChem CID 79351213) has the molecular formula C11H15ClFN3 and a molecular weight of 243.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
PubChem CID79351213
Molecular FormulaC11H15ClFN3
Molecular Weight243.71 g/mol
Exact Mass243.09
IUPAC Name2-chloro-5-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
SMILESCC1(C)C(Nc2nc(Cl)ncc2F)C1(C)C
InChIInChI=1S/C11H15ClFN3/c1-10(2)8(11(10,3)4)15-7-6(13)5-14-9(12)16-7/h5,8H,1-4H3,(H,14,15,16)
InChIKeyWWDQVZVVZKJJEH-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine (CID 79351213) is 2-chloro-5-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine is CC1(C)C(Nc2nc(Cl)ncc2F)C1(C)C.
What is the InChIKey of 2-chloro-5-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine?
The InChIKey is WWDQVZVVZKJJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3/c1-10(2)8(11(10,3)4)15-7-6(13)5-14-9(12)16-7/h5,8H,1-4H3,(H,14,15,16).
What are the key properties of 2-chloro-5-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine has a molecular weight of 243.71 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine is sourced from PubChem (CID 79351213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).