2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-hydroxy-1H-pyrimidin-6-one

C10H15N3O5 — CID 157453465

IUPAC2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESNc1nc(O)c([C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C10H15N3O5/c11-10-12-8(17)5(9(18)13-10)4-1-3(2-14)6(15)7(4)16/h3-4,6-7,14-16H,1-2H2,(H4,11,12,13,17,18)/t3-,4+,6-,7+/m1/s1
InChIKeyATCXBDXEHMDULU-LCZOEFHHSA-N
MW257.25 g/mol
LogP-2.12
Rot. Bonds2

About 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-hydroxy-1H-pyrimidin-6-one

2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 157453465) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID157453465
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESNc1nc(O)c([C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C10H15N3O5/c11-10-12-8(17)5(9(18)13-10)4-1-3(2-14)6(15)7(4)16/h3-4,6-7,14-16H,1-2H2,(H4,11,12,13,17,18)/t3-,4+,6-,7+/m1/s1
InChIKeyATCXBDXEHMDULU-LCZOEFHHSA-N
XLogP-2.12
TPSA152.69 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.25
LogP ≤ 5-2.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-5-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-4-hydroxy-1H-pyrimidin-6-one
CID 123806414
2-amino-9-[(1S,2S,3S,4S)-2-fluoro-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
CID 135845086
2-amino-9-[(1S,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-1H-purin-6-one;phosphoric acid
CID 173009169
2-amino-9-[4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1H-purin-6-one
CID 135841589
2-amino-9-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1H-purin-6-one
CID 136880790
2-amino-9-[(1R,4S,5R)-4,5-bis(hydroxymethyl)cyclohex-2-en-1-yl]-1H-purin-6-one
CID 136675494
2-amino-9-[[(2S)-2-(hydroxymethyl)cyclohexyl]methyl]-1H-purin-6-one
CID 135625260
selenoguanosine
CID 137242518
2-amino-5-tert-butyl-4-hydroxy-1H-pyrimidin-6-one
CID 150908321
5-[(2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2-methylidene-3H-pyridin-6-one
CID 160629625
3-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,7-dihydropyrazolo[4,3-c]pyridine-4,6-dione
CID 15401497
2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-2-methylcyclopentyl]-1H-pyrimidin-6-one
CID 158358779

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-hydroxy-1H-pyrimidin-6-one (CID 157453465) is 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-hydroxy-1H-pyrimidin-6-one is Nc1nc(O)c([C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ATCXBDXEHMDULU-LCZOEFHHSA-N. The full InChI is InChI=1S/C10H15N3O5/c11-10-12-8(17)5(9(18)13-10)4-1-3(2-14)6(15)7(4)16/h3-4,6-7,14-16H,1-2H2,(H4,11,12,13,17,18)/t3-,4+,6-,7+/m1/s1.
What are the key properties of 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-hydroxy-1H-pyrimidin-6-one?
2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 257.25 g/mol, XLogP of -2.12, 2 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1S,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 157453465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).