[2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium

C12H16N5O4+ — CID 163358893

IUPAC[2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium
SMILESNc1nc2c(c(C[NH3+])cn2C2C=C(O)C(CO)O2)c(=O)[nH]1
InChIInChI=1S/C12H15N5O4/c13-2-5-3-17(8-1-6(19)7(4-18)21-8)10-9(5)11(20)16-12(14)15-10/h1,3,7-8,18-19H,2,4,13H2,(H3,14,15,16,20)/p+1
InChIKeyTVHVHXWWHMZRER-UHFFFAOYSA-O
MW294.29 g/mol
LogP-1.62
Rot. Bonds3

About [2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium

[2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium (PubChem CID 163358893) has the molecular formula C12H16N5O4+ and a molecular weight of 294.29 g/mol. Its IUPAC name is [2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium.

Molecular Properties

Compound Name[2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium
PubChem CID163358893
Molecular FormulaC12H16N5O4+
Molecular Weight294.29 g/mol
Exact Mass294.12
IUPAC Name[2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium
SMILESNc1nc2c(c(C[NH3+])cn2C2C=C(O)C(CO)O2)c(=O)[nH]1
InChIInChI=1S/C12H15N5O4/c13-2-5-3-17(8-1-6(19)7(4-18)21-8)10-9(5)11(20)16-12(14)15-10/h1,3,7-8,18-19H,2,4,13H2,(H3,14,15,16,20)/p+1
InChIKeyTVHVHXWWHMZRER-UHFFFAOYSA-O
XLogP-1.62
TPSA154.03 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 5-1.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze [2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium with MolForge

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Related Compounds

2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 163358895
[5-(2-amino-5-carbamimidoyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methyl hydrogen phosphate
CID 162680200
2-amino-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 136928160
2-amino-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 137251469
2-amino-5-fluoro-7-[5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;methanol
CID 164882319
2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 166174533
2-amino-5-[[[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 136723207
methyl (E)-3-[2-amino-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enoate
CID 136723135
2,8-diamino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 161116161
2-amino-7-[(2R,4S,5R)-5-(hydroxymethyl)-4-prop-2-enoxyoxolan-2-yl]-5-iodo-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 175676394
methyl 3-[[2-amino-7-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]amino]propanoate
CID 135497276
2-amino-9-[(2R,4E,5S)-5-(hydroxymethyl)-4-methoxyiminooxolan-2-yl]-1H-purin-6-one
CID 137139945

Frequently Asked Questions

What is the IUPAC name of [2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium?
The IUPAC name of [2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium (CID 163358893) is [2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium.
What is the SMILES notation for [2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium?
The canonical SMILES for [2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium is Nc1nc2c(c(C[NH3+])cn2C2C=C(O)C(CO)O2)c(=O)[nH]1.
What is the InChIKey of [2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium?
The InChIKey is TVHVHXWWHMZRER-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15N5O4/c13-2-5-3-17(8-1-6(19)7(4-18)21-8)10-9(5)11(20)16-12(14)15-10/h1,3,7-8,18-19H,2,4,13H2,(H3,14,15,16,20)/p+1.
What are the key properties of [2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium?
[2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium has a molecular weight of 294.29 g/mol, XLogP of -1.62, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]methylazanium is sourced from PubChem (CID 163358893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).