(5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one

C12H17N3O5 — CID 135524227

IUPAC(5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc2c(cn1[C@H]1C[C@H](O)[C@@H](CO)O1)[C@@H](O)CCN2
InChIInChI=1S/C12H17N3O5/c16-5-9-8(18)3-10(20-9)15-4-6-7(17)1-2-13-11(6)14-12(15)19/h4,7-10,16-18H,1-3,5H2,(H,13,14,19)/t7-,8-,9+,10+/m0/s1
InChIKeyUGBJXAFGONEIQX-AXTSPUMRSA-N
MW283.28 g/mol
LogP-1.27
Rot. Bonds2

About (5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one

(5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one (PubChem CID 135524227) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is (5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name(5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one
PubChem CID135524227
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name(5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc2c(cn1[C@H]1C[C@H](O)[C@@H](CO)O1)[C@@H](O)CCN2
InChIInChI=1S/C12H17N3O5/c16-5-9-8(18)3-10(20-9)15-4-6-7(17)1-2-13-11(6)14-12(15)19/h4,7-10,16-18H,1-3,5H2,(H,13,14,19)/t7-,8-,9+,10+/m0/s1
InChIKeyUGBJXAFGONEIQX-AXTSPUMRSA-N
XLogP-1.27
TPSA116.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxofuro[2,3-d]pyrimidin-6-yl]furo[2,3-d]pyrimidin-2-one
CID 101488425
3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6-dihydrofuro[2,3-d]pyrimidin-2-one
CID 22211371
4-amino-5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 139061383
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;ethane
CID 144939654
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxylic acid
CID 23112726
2-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]acetic acid
CID 54053326
4-(hydroxyamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
CID 10540173
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346
5-acetyl-4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 72736985
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-pyrrolidin-1-ylpyrimidin-2-one
CID 165413697
6-(aminomethyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-one
CID 102412837
4-(15N)azanyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4,1,3-15N2)pyrimidin-2-one
CID 123353107

Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of (5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one (CID 135524227) is (5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for (5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for (5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one is O=c1nc2c(cn1[C@H]1C[C@H](O)[C@@H](CO)O1)[C@@H](O)CCN2.
What is the InChIKey of (5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one?
The InChIKey is UGBJXAFGONEIQX-AXTSPUMRSA-N. The full InChI is InChI=1S/C12H17N3O5/c16-5-9-8(18)3-10(20-9)15-4-6-7(17)1-2-13-11(6)14-12(15)19/h4,7-10,16-18H,1-3,5H2,(H,13,14,19)/t7-,8-,9+,10+/m0/s1.
What are the key properties of (5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one?
(5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one has a molecular weight of 283.28 g/mol, XLogP of -1.27, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 135524227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).