4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one

C12H14N4O4 — CID 67727609

IUPAC4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one
SMILESCc1cnc2c([C@H]3C[C@H](O)[C@@H](CO)O3)[nH]c(=O)nc2n1
InChIInChI=1S/C12H14N4O4/c1-5-3-13-10-9(15-12(19)16-11(10)14-5)7-2-6(18)8(4-17)20-7/h3,6-8,17-18H,2,4H2,1H3,(H,14,15,16,19)/t6-,7+,8+/m0/s1
InChIKeyAFYSCGOIZCZHGM-XLPZGREQSA-N
MW278.27 g/mol
LogP-0.80
Rot. Bonds2

About 4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one

4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one (PubChem CID 67727609) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one.

Molecular Properties

Compound Name4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one
PubChem CID67727609
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one
SMILESCc1cnc2c([C@H]3C[C@H](O)[C@@H](CO)O3)[nH]c(=O)nc2n1
InChIInChI=1S/C12H14N4O4/c1-5-3-13-10-9(15-12(19)16-11(10)14-5)7-2-6(18)8(4-17)20-7/h3,6-8,17-18H,2,4H2,1H3,(H,14,15,16,19)/t6-,7+,8+/m0/s1
InChIKeyAFYSCGOIZCZHGM-XLPZGREQSA-N
XLogP-0.80
TPSA121.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one with MolForge

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Related Compounds

6-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,3,5-triazin-2-one
CID 174215648
2-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazole-5-carboxamide
CID 67354949
(2R,3S,5R)-5-(2-chloro-6-methyl-3-pyridinyl)-2-(hydroxymethyl)oxolan-3-ol
CID 71762520
(2R,3S,5S)-5-(6-chloro-7H-purin-8-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 124679420
(2R,3S,5R)-5-(2,4-diaminopyrimidin-5-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 46242438
7-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 144823806
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 142087831
2,7-dimethyl-3H-pteridin-4-one
CID 135822589
(2R,3S,5R)-5-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 512707
(2R,3S,5S)-2-(hydroxymethyl)-5-(2,4,5-trimethylphenyl)oxolan-3-ol
CID 102506290
6-amino-3-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
CID 90963679
5-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyridin-2-one
CID 58776109

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one?
The IUPAC name of 4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one (CID 67727609) is 4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one.
What is the SMILES notation for 4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one?
The canonical SMILES for 4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one is Cc1cnc2c([C@H]3C[C@H](O)[C@@H](CO)O3)[nH]c(=O)nc2n1.
What is the InChIKey of 4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one?
The InChIKey is AFYSCGOIZCZHGM-XLPZGREQSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-5-3-13-10-9(15-12(19)16-11(10)14-5)7-2-6(18)8(4-17)20-7/h3,6-8,17-18H,2,4H2,1H3,(H,14,15,16,19)/t6-,7+,8+/m0/s1.
What are the key properties of 4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one?
4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one has a molecular weight of 278.27 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-3H-pteridin-2-one is sourced from PubChem (CID 67727609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).