[4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol

C9H10ClN5O3 — CID 21145907

IUPAC[4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
SMILESNc1nc(Cl)nc2c1ncn2C1COC(CO)O1
InChIInChI=1S/C9H10ClN5O3/c10-9-13-7(11)6-8(14-9)15(3-12-6)4-2-17-5(1-16)18-4/h3-5,16H,1-2H2,(H2,11,13,14)
InChIKeyPIGAIMDIRINNKI-UHFFFAOYSA-N
MW271.66 g/mol
LogP-0.07
Rot. Bonds2

About [4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol

[4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol (PubChem CID 21145907) has the molecular formula C9H10ClN5O3 and a molecular weight of 271.66 g/mol. Its IUPAC name is [4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol.

Molecular Properties

Compound Name[4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
PubChem CID21145907
Molecular FormulaC9H10ClN5O3
Molecular Weight271.66 g/mol
Exact Mass271.05
IUPAC Name[4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
SMILESNc1nc(Cl)nc2c1ncn2C1COC(CO)O1
InChIInChI=1S/C9H10ClN5O3/c10-9-13-7(11)6-8(14-9)15(3-12-6)4-2-17-5(1-16)18-4/h3-5,16H,1-2H2,(H2,11,13,14)
InChIKeyPIGAIMDIRINNKI-UHFFFAOYSA-N
XLogP-0.07
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.66
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

acetylene;[5-(6-amino-2-chloropurin-9-yl)oxolan-2-yl]methanol
CID 163227421
[(2S,3R,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]methanol
CID 101038148
[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145902
(2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 6603778
(2R,4R,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate
CID 155885669
[(2R)-4-(2,6-diaminopurin-9-yl)-1,3-dioxolan-2-yl]methyl acetate
CID 118700032
(2S,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-4-(18F)fluoro-5-(hydroxymethyl)oxolan-3-ol
CID 25241185
(2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol
CID 88559441
1-[[2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purin-6-yl]amino]cyclopropane-1-carboxylic acid
CID 22986588
[2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purin-6-yl]-cyclopropylcarbamic acid
CID 70145053
5-(6-amino-2-chloropurin-9-yl)-2-(sulfanyloxymethyl)oxolan-3-ol
CID 123536828
(2R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 56973707

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol?
The IUPAC name of [4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol (CID 21145907) is [4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol.
What is the SMILES notation for [4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol?
The canonical SMILES for [4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol is Nc1nc(Cl)nc2c1ncn2C1COC(CO)O1.
What is the InChIKey of [4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol?
The InChIKey is PIGAIMDIRINNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O3/c10-9-13-7(11)6-8(14-9)15(3-12-6)4-2-17-5(1-16)18-4/h3-5,16H,1-2H2,(H2,11,13,14).
What are the key properties of [4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol?
[4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol has a molecular weight of 271.66 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol is sourced from PubChem (CID 21145907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).