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

C12H13N5O5 — CID 163358895

IUPAC2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESNC(=O)c1cn(C2C=C(O)C(CO)O2)c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C12H13N5O5/c13-9(20)4-2-17(7-1-5(19)6(3-18)22-7)10-8(4)11(21)16-12(14)15-10/h1-2,6-7,18-19H,3H2,(H2,13,20)(H3,14,15,16,21)
InChIKeyJQUMQOPXCGIRGT-UHFFFAOYSA-N
MW307.27 g/mol
LogP-1.26
Rot. Bonds3

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

2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 163358895) has the molecular formula C12H13N5O5 and a molecular weight of 307.27 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]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID163358895
Molecular FormulaC12H13N5O5
Molecular Weight307.27 g/mol
Exact Mass307.09
IUPAC Name2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESNC(=O)c1cn(C2C=C(O)C(CO)O2)c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C12H13N5O5/c13-9(20)4-2-17(7-1-5(19)6(3-18)22-7)10-8(4)11(21)16-12(14)15-10/h1-2,6-7,18-19H,3H2,(H2,13,20)(H3,14,15,16,21)
InChIKeyJQUMQOPXCGIRGT-UHFFFAOYSA-N
XLogP-1.26
TPSA169.48 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 5-1.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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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]pyrimidin-5-yl]methylazanium
CID 163358893
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
[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
methyl 2-amino-7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 162937831
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-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
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
7-[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 136766516
7-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 136842872
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

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]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 163358895) is 2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.
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]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is NC(=O)c1cn(C2C=C(O)C(CO)O2)c2nc(N)[nH]c(=O)c12.
What is the InChIKey of 2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JQUMQOPXCGIRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O5/c13-9(20)4-2-17(7-1-5(19)6(3-18)22-7)10-8(4)11(21)16-12(14)15-10/h1-2,6-7,18-19H,3H2,(H2,13,20)(H3,14,15,16,21).
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]pyrimidine-5-carboxamide?
2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 307.27 g/mol, XLogP of -1.26, 3 rotatable bonds, 5 hydrogen bond donors, and 8 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]pyrimidine-5-carboxamide is sourced from PubChem (CID 163358895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).