6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine

C11H12ClF2N5 — CID 174675846

IUPAC6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine
SMILESCCC1C(Cn2cnc3c(Cl)nc(N)nc32)C1(F)F
InChIInChI=1S/C11H12ClF2N5/c1-2-5-6(11(5,13)14)3-19-4-16-7-8(12)17-10(15)18-9(7)19/h4-6H,2-3H2,1H3,(H2,15,17,18)
InChIKeyAHUXLECVLVUUQE-UHFFFAOYSA-N
MW287.70 g/mol
LogP2.35
Rot. Bonds3

About 6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine

6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine (PubChem CID 174675846) has the molecular formula C11H12ClF2N5 and a molecular weight of 287.70 g/mol. Its IUPAC name is 6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine
PubChem CID174675846
Molecular FormulaC11H12ClF2N5
Molecular Weight287.70 g/mol
Exact Mass287.07
IUPAC Name6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine
SMILESCCC1C(Cn2cnc3c(Cl)nc(N)nc32)C1(F)F
InChIInChI=1S/C11H12ClF2N5/c1-2-5-6(11(5,13)14)3-19-4-16-7-8(12)17-10(15)18-9(7)19/h4-6H,2-3H2,1H3,(H2,15,17,18)
InChIKeyAHUXLECVLVUUQE-UHFFFAOYSA-N
XLogP2.35
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine?
The IUPAC name of 6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine (CID 174675846) is 6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine is CCC1C(Cn2cnc3c(Cl)nc(N)nc32)C1(F)F.
What is the InChIKey of 6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine?
The InChIKey is AHUXLECVLVUUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N5/c1-2-5-6(11(5,13)14)3-19-4-16-7-8(12)17-10(15)18-9(7)19/h4-6H,2-3H2,1H3,(H2,15,17,18).
What are the key properties of 6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine?
6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine has a molecular weight of 287.70 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine is sourced from PubChem (CID 174675846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).