(5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile

C10H12N4O3 — CID 143888898

IUPAC(5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile
SMILESN#CC1C[C@@H](CO)OC1n1ccc(N)nc1=O
InChIInChI=1S/C10H12N4O3/c11-4-6-3-7(5-15)17-9(6)14-2-1-8(12)13-10(14)16/h1-2,6-7,9,15H,3,5H2,(H2,12,13,16)/t6?,7-,9?/m0/s1
InChIKeyAZLCUIPCKOVFMS-CRMOQAEOSA-N
MW236.23 g/mol
LogP-0.75
Rot. Bonds2

About (5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile

(5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile (PubChem CID 143888898) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is (5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile.

Molecular Properties

Compound Name(5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile
PubChem CID143888898
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name(5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile
SMILESN#CC1C[C@@H](CO)OC1n1ccc(N)nc1=O
InChIInChI=1S/C10H12N4O3/c11-4-6-3-7(5-15)17-9(6)14-2-1-8(12)13-10(14)16/h1-2,6-7,9,15H,3,5H2,(H2,12,13,16)/t6?,7-,9?/m0/s1
InChIKeyAZLCUIPCKOVFMS-CRMOQAEOSA-N
XLogP-0.75
TPSA114.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(hydroxymethyl)-2-(4-methyl-2-oxopyrimidin-1-yl)oxolane-3-carbonitrile
CID 143888918
4-amino-1-[5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 71344855
4-amino-1-[(2S,3S,5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-yl]pyrimidin-2-one
CID 10588718
4-amino-1-[(1S,2R,4S,5R)-4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-yl]pyrimidin-2-one
CID 10878776
4-amino-1-[5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one;(4-chlorophenyl)methanediol
CID 143411587
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 67142242
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
4-amino-1-[(2R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 67142243
(2R,3R,4S,5R,6R)-2-(4-amino-2-oxopyrimidin-1-yl)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-4-carbonitrile
CID 56930499

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile?
The IUPAC name of (5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile (CID 143888898) is (5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile.
What is the SMILES notation for (5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile?
The canonical SMILES for (5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile is N#CC1C[C@@H](CO)OC1n1ccc(N)nc1=O.
What is the InChIKey of (5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile?
The InChIKey is AZLCUIPCKOVFMS-CRMOQAEOSA-N. The full InChI is InChI=1S/C10H12N4O3/c11-4-6-3-7(5-15)17-9(6)14-2-1-8(12)13-10(14)16/h1-2,6-7,9,15H,3,5H2,(H2,12,13,16)/t6?,7-,9?/m0/s1.
What are the key properties of (5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile?
(5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile has a molecular weight of 236.23 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4-amino-2-oxopyrimidin-1-yl)-5-(hydroxymethyl)oxolane-3-carbonitrile is sourced from PubChem (CID 143888898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).