CID 162465121

C9H12N3O4Se — CID 162465121

IUPAC—
SMILESNc1ccn([C@@H]2OC(CO)[C@H](O)C2[Se])c(=O)n1
InChIInChI=1S/C9H12N3O4Se/c10-5-1-2-12(9(15)11-5)8-7(17)6(14)4(3-13)16-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)/t4?,6-,7?,8+/m0/s1
InChIKeySYWXYOBDSHZKAU-UANZIBEISA-N
MW305.17 g/mol
LogP-1.97
Rot. Bonds2

About CID 162465121

CID 162465121 (PubChem CID 162465121) has the molecular formula C9H12N3O4Se and a molecular weight of 305.17 g/mol.

Molecular Properties

Compound NameCID 162465121
PubChem CID162465121
Molecular FormulaC9H12N3O4Se
Molecular Weight305.17 g/mol
Exact Mass306.00
IUPAC Name—
SMILESNc1ccn([C@@H]2OC(CO)[C@H](O)C2[Se])c(=O)n1
InChIInChI=1S/C9H12N3O4Se/c10-5-1-2-12(9(15)11-5)8-7(17)6(14)4(3-13)16-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)/t4?,6-,7?,8+/m0/s1
InChIKeySYWXYOBDSHZKAU-UANZIBEISA-N
XLogP-1.97
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 162465121 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

4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
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-amino-1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 23615336
sodium;4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydride
CID 173204866
4-amino-1-[(2R,3S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71209795
4-amino-1-[(2R,3R,4S,5R)-4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10848727
4-amino-1-[(2R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 21117608
4-amino-1-[(2S,5S)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 135354225
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;piperazine
CID 174523119
4-amino-1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 67142242
4-amino-1-[(2R,3S,4R,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59795629

Frequently Asked Questions

What is the IUPAC name of CID 162465121?
The IUPAC name of CID 162465121 (CID 162465121) is not available.
What is the SMILES notation for CID 162465121?
The canonical SMILES for CID 162465121 is Nc1ccn([C@@H]2OC(CO)[C@H](O)C2[Se])c(=O)n1.
What is the InChIKey of CID 162465121?
The InChIKey is SYWXYOBDSHZKAU-UANZIBEISA-N. The full InChI is InChI=1S/C9H12N3O4Se/c10-5-1-2-12(9(15)11-5)8-7(17)6(14)4(3-13)16-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)/t4?,6-,7?,8+/m0/s1.
What are the key properties of CID 162465121?
CID 162465121 has a molecular weight of 305.17 g/mol, XLogP of -1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162465121 is sourced from PubChem (CID 162465121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).