[(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol

C10H8ClF2N5O — CID 11087436

IUPAC[(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol
SMILESNc1nc(Cl)c2ncn(/C=C3/C(CO)C3(F)F)c2n1
InChIInChI=1S/C10H8ClF2N5O/c11-7-6-8(17-9(14)16-7)18(3-15-6)1-4-5(2-19)10(4,12)13/h1,3,5,19H,2H2,(H2,14,16,17)/b4-1-
InChIKeyDYOUEADBDNVGRH-RJRFIUFISA-N
MW287.66 g/mol
LogP1.16
Rot. Bonds2

About [(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol

[(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol (PubChem CID 11087436) has the molecular formula C10H8ClF2N5O and a molecular weight of 287.66 g/mol. Its IUPAC name is [(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol.

Molecular Properties

Compound Name[(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol
PubChem CID11087436
Molecular FormulaC10H8ClF2N5O
Molecular Weight287.66 g/mol
Exact Mass287.04
IUPAC Name[(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol
SMILESNc1nc(Cl)c2ncn(/C=C3/C(CO)C3(F)F)c2n1
InChIInChI=1S/C10H8ClF2N5O/c11-7-6-8(17-9(14)16-7)18(3-15-6)1-4-5(2-19)10(4,12)13/h1,3,5,19H,2H2,(H2,14,16,17)/b4-1-
InChIKeyDYOUEADBDNVGRH-RJRFIUFISA-N
XLogP1.16
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.66
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol with MolForge

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Related Compounds

2-amino-9-[(E)-[(3R)-2,2-difluoro-3-(hydroxymethyl)cyclopropylidene]methyl]-1H-purin-6-one
CID 135511266
[(2Z)-2-[(2-amino-6-chloropurin-9-yl)methylidene]-1-(hydroxymethyl)cyclopropyl]methanol
CID 11778491
[(2Z)-2-[(2-amino-6-chloropurin-9-yl)methylidene]-1-ethynylcyclopropyl]methanol
CID 102575305
6-chloro-9-ethenylpurin-2-amine
CID 15374495
6-chloro-9-[(E)-prop-1-enyl]purin-2-amine
CID 71615634
(2R,3R,4R,5R)-2-(2-amino-6-chloropurin-9-yl)-3-fluoro-5-(hydroxymethyl)oxolane-3,4-diol
CID 87735053
(2R,3R,4R,5S)-5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 126970527
5-(2-amino-6-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 20846061
[(1R,2R)-2-(2-amino-6-chloropurin-9-yl)cyclopentyl]methanol
CID 139633326
6-chloro-9-[(3-ethyl-2,2-difluorocyclopropyl)methyl]purin-2-amine
CID 174675846
(2S,3S,4S,5S)-2-(2-amino-6-chloropurin-9-yl)-5-(hydroxymethyl)thiolane-3,4-diol
CID 57062723
(2S,3R)-5-(2-amino-6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154723265

Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol?
The IUPAC name of [(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol (CID 11087436) is [(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol.
What is the SMILES notation for [(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol?
The canonical SMILES for [(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol is Nc1nc(Cl)c2ncn(/C=C3/C(CO)C3(F)F)c2n1.
What is the InChIKey of [(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol?
The InChIKey is DYOUEADBDNVGRH-RJRFIUFISA-N. The full InChI is InChI=1S/C10H8ClF2N5O/c11-7-6-8(17-9(14)16-7)18(3-15-6)1-4-5(2-19)10(4,12)13/h1,3,5,19H,2H2,(H2,14,16,17)/b4-1-.
What are the key properties of [(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol?
[(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol has a molecular weight of 287.66 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3-[(2-amino-6-chloropurin-9-yl)methylidene]-2,2-difluorocyclopropyl]methanol is sourced from PubChem (CID 11087436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).