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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Related Compounds

6-chloro-9-[[(1S,3R)-2,2-difluoro-3-(phenylmethoxymethyl)cyclopropyl]methyl]purin-2-amine
CID 100998128
6-chloro-9-pentylpurin-2-amine
CID 139201177
2-amino-9-[[2,2-difluoro-3-(hydroxymethyl)cyclopropyl]methyl]-1H-purin-6-one
CID 135856504
6-chloro-9-(4-chlorobut-2-ynyl)purin-2-amine
CID 14408836
6-chloro-9-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]purin-2-amine
CID 139726529
6-chloro-9-[2-(2-methyl-1,3-dioxan-5-yl)ethyl]purin-2-amine
CID 11781483
6-chloro-9-[(4,5,6-trimethyl-3-pyridinyl)methyl]purin-2-amine
CID 89371902
6-chloro-9-pent-4-ynylpurin-2-amine
CID 125495382
6-chloro-9-[[(2S,4R)-2-(diethoxyphosphorylmethyl)-1,3-dioxolan-4-yl]methyl]purin-2-amine
CID 18664209
6-chloro-9-[2-(dipropoxyphosphorylmethoxy)ethyl]purin-2-amine
CID 89383791
6-chloro-9-[2-[di(propan-2-yl)phosphanylmethoxy]-3-fluoropropyl]purin-2-amine
CID 57062350
6-chloro-9-[(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)oxymethyl]purin-2-amine
CID 19868867

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).