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Ganciclovir

C9H13N5O4 — CID 135398740

💊View drug profile → ganciclovir

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one
SMILESNc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1
InChIInChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
InChIKeyIRSCQMHQWWYFCW-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.97
Rot. Bonds5

About Ganciclovir

Ganciclovir (PubChem CID 135398740) has the molecular formula C9H13N5O4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one.

Molecular Properties

Compound NameGanciclovir
PubChem CID135398740
Molecular FormulaC9H13N5O4
Molecular Weight255.23 g/mol
Exact Mass255.10
IUPAC Name2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one
SMILESNc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1
InChIInChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
InChIKeyIRSCQMHQWWYFCW-UHFFFAOYSA-N
XLogP-1.97
TPSA139.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one;2-amino-9-[4-hydroxy-2-(hydroxymethyl)butyl]-1H-purin-6-one
CID 135542231
2-amino-9-(1-hydroxyhexan-2-yloxymethyl)-1H-purin-6-one
CID 135749844
2-amino-9-[(1-hydroxy-4-phosphonatobutan-2-yl)oxymethyl]-1H-purin-6-one;hydron
CID 173361717
2-amino-9-[[1-(4-chlorophenoxy)-3-hydroxypropan-2-yl]oxymethyl]-1H-purin-6-one
CID 135745173
[(2S)-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] (2R)-2-amino-3-methylbutanoate
CID 135543634
2-amino-9-[[(2R)-4-diethoxyphosphoryl-1-hydroxybutan-2-yl]oxymethyl]-1H-purin-6-one
CID 135531228
2-amino-9-[[(2R,3R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxymethyl]-1H-purin-6-one
CID 136768433
2-amino-9-[[(1S)-2-hydroxy-1-phenylethoxy]methyl]-1H-purin-6-one
CID 135407739
2-amino-9-[(2-hydroxy-1-phenylethoxy)methyl]-1H-purin-6-one
CID 135749846
2-amino-9-[[(1R)-2-hydroxy-1-phenylethoxy]methyl]-1H-purin-6-one
CID 135509415
[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] 1-aminocyclobutane-1-carboxylate
CID 139679517
[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] 1-aminocyclodecane-1-carboxylate
CID 139679509

Frequently Asked Questions

What is the IUPAC name of Ganciclovir?
The IUPAC name of Ganciclovir (CID 135398740) is 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one.
What is the SMILES notation for Ganciclovir?
The canonical SMILES for Ganciclovir is Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1.
What is the InChIKey of Ganciclovir?
The InChIKey is IRSCQMHQWWYFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17).
What are the key properties of Ganciclovir?
Ganciclovir has a molecular weight of 255.23 g/mol, XLogP of -1.97, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Ganciclovir is sourced from PubChem (CID 135398740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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