N'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide

C15H19N7O5 — CID 66828314

IUPACN'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide
SMILESCOCCn1c(=O)n(CCO)c2nc(N)nc(NNC(=O)c3ccco3)c21
InChIInChI=1S/C15H19N7O5/c1-26-8-5-21-10-11(19-20-13(24)9-3-2-7-27-9)17-14(16)18-12(10)22(4-6-23)15(21)25/h2-3,7,23H,4-6,8H2,1H3,(H,20,24)(H3,16,17,18,19)
InChIKeyPHSHNYHNACNUMD-UHFFFAOYSA-N
MW377.36 g/mol
LogP-0.84
Rot. Bonds8

About N'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide

N'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide (PubChem CID 66828314) has the molecular formula C15H19N7O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is N'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide
PubChem CID66828314
Molecular FormulaC15H19N7O5
Molecular Weight377.36 g/mol
Exact Mass377.14
IUPAC NameN'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide
SMILESCOCCn1c(=O)n(CCO)c2nc(N)nc(NNC(=O)c3ccco3)c21
InChIInChI=1S/C15H19N7O5/c1-26-8-5-21-10-11(19-20-13(24)9-3-2-7-27-9)17-14(16)18-12(10)22(4-6-23)15(21)25/h2-3,7,23H,4-6,8H2,1H3,(H,20,24)(H3,16,17,18,19)
InChIKeyPHSHNYHNACNUMD-UHFFFAOYSA-N
XLogP-0.84
TPSA162.46 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.36
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-[[2-(furan-2-yl)-2-oxoethyl]amino]-9-(2-hydroxyethyl)-7-methylpurin-8-one
CID 162058248
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19144226
N'-(2-amino-6-chloro-5-formylpyrimidin-4-yl)furan-2-carbohydrazide
CID 11335027
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750
N-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]furan-2-carboxamide
CID 53013036
1-(2-hydroxyethyl)-3,5-bis(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 71196349
2-amino-7-(2,2-difluorobutyl)-6-hydrazinyl-9-(2-hydroxyethyl)purin-8-one
CID 162564163
N'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 7803373
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]furan-2-carbohydrazide
CID 19152033
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19135482
N'-[2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]furan-2-carbohydrazide
CID 7815565
methyl N-(furan-2-carbonylamino)carbamate
CID 909545

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide (CID 66828314) is N'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide is COCCn1c(=O)n(CCO)c2nc(N)nc(NNC(=O)c3ccco3)c21.
What is the InChIKey of N'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide?
The InChIKey is PHSHNYHNACNUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O5/c1-26-8-5-21-10-11(19-20-13(24)9-3-2-7-27-9)17-14(16)18-12(10)22(4-6-23)15(21)25/h2-3,7,23H,4-6,8H2,1H3,(H,20,24)(H3,16,17,18,19).
What are the key properties of N'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide?
N'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide has a molecular weight of 377.36 g/mol, XLogP of -0.84, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-9-(2-hydroxyethyl)-7-(2-methoxyethyl)-8-oxopurin-6-yl]furan-2-carbohydrazide is sourced from PubChem (CID 66828314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).