6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine

C11H13ClFN3 — CID 122191265

IUPAC6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine
SMILESC=C(F)CNc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C11H13ClFN3/c1-6(13)5-14-10-7(2)9(12)15-11(16-10)8-3-4-8/h8H,1,3-5H2,2H3,(H,14,15,16)
InChIKeyURLNZAXHZXPDRT-UHFFFAOYSA-N
MW241.70 g/mol
LogP3.21
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine (PubChem CID 122191265) has the molecular formula C11H13ClFN3 and a molecular weight of 241.70 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine
PubChem CID122191265
Molecular FormulaC11H13ClFN3
Molecular Weight241.70 g/mol
Exact Mass241.08
IUPAC Name6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine
SMILESC=C(F)CNc1nc(C2CC2)nc(Cl)c1C
InChIInChI=1S/C11H13ClFN3/c1-6(13)5-14-10-7(2)9(12)15-11(16-10)8-3-4-8/h8H,1,3-5H2,2H3,(H,14,15,16)
InChIKeyURLNZAXHZXPDRT-UHFFFAOYSA-N
XLogP3.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine (CID 122191265) is 6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine is C=C(F)CNc1nc(C2CC2)nc(Cl)c1C.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine?
The InChIKey is URLNZAXHZXPDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3/c1-6(13)5-14-10-7(2)9(12)15-11(16-10)8-3-4-8/h8H,1,3-5H2,2H3,(H,14,15,16).
What are the key properties of 6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine has a molecular weight of 241.70 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 122191265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).