CID 144985274

C11H22FN3O3S2 — CID 144985274

IUPAC—
SMILESCC.CC(OC(CO)CF)n1ccc(N)nc1=O.SS
InChIInChI=1S/C9H14FN3O3.C2H6.H2S2/c1-6(16-7(4-10)5-14)13-3-2-8(11)12-9(13)15;2*1-2/h2-3,6-7,14H,4-5H2,1H3,(H2,11,12,15);1-2H3;1-2H
InChIKeyMYAQZOQRFKNUSP-UHFFFAOYSA-N
MW327.45 g/mol
LogP1.48
Rot. Bonds5

About CID 144985274

CID 144985274 (PubChem CID 144985274) has the molecular formula C11H22FN3O3S2 and a molecular weight of 327.45 g/mol.

Molecular Properties

Compound NameCID 144985274
PubChem CID144985274
Molecular FormulaC11H22FN3O3S2
Molecular Weight327.45 g/mol
Exact Mass327.11
IUPAC Name—
SMILESCC.CC(OC(CO)CF)n1ccc(N)nc1=O.SS
InChIInChI=1S/C9H14FN3O3.C2H6.H2S2/c1-6(16-7(4-10)5-14)13-3-2-8(11)12-9(13)15;2*1-2/h2-3,6-7,14H,4-5H2,1H3,(H2,11,12,15);1-2H3;1-2H
InChIKeyMYAQZOQRFKNUSP-UHFFFAOYSA-N
XLogP1.48
TPSA90.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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4-amino-1-[1-[(2S)-4-hydroxy-1,3-dimethoxybutan-2-yl]oxyethyl]pyrimidin-2-one
CID 173465411
4-amino-1-(5-hydroxy-4-methoxypentan-2-yl)pyrimidin-2-one
CID 134425665
4-amino-1-[1-[(3R,4R)-4,5-dihydroxyhexan-3-yl]oxyethyl]pyrimidin-2-one
CID 71212015
[2-[1-(4-amino-2-oxopyrimidin-1-yl)ethoxy]-1,4-dihydroxypentan-3-yl] 2-amino-3-methylbutanoate
CID 70998723
4-amino-1-[1-[(2S)-1,4-dihydroxy-3-(2-methoxyhydrazinyl)-3-methylbutan-2-yl]oxyethyl]pyrimidin-2-one
CID 70973153
1-[(1R)-1-[(2R)-1-fluoro-3-hydroxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 155149316
4-amino-1-[(1R,2R,3S)-1,4-dihydroxy-3-methoxy-2-methylbutyl]pyrimidin-2-one
CID 129301976
2-[1-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxyethoxy]-3-hydroxypropanal
CID 170585290
2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
CID 14216904
4-amino-1-[(1R,2R,3R)-2,4-dihydroxy-1,3-dimethoxybutyl]pyrimidin-2-one
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Frequently Asked Questions

What is the IUPAC name of CID 144985274?
The IUPAC name of CID 144985274 (CID 144985274) is not available.
What is the SMILES notation for CID 144985274?
The canonical SMILES for CID 144985274 is CC.CC(OC(CO)CF)n1ccc(N)nc1=O.SS.
What is the InChIKey of CID 144985274?
The InChIKey is MYAQZOQRFKNUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O3.C2H6.H2S2/c1-6(16-7(4-10)5-14)13-3-2-8(11)12-9(13)15;2*1-2/h2-3,6-7,14H,4-5H2,1H3,(H2,11,12,15);1-2H3;1-2H.
What are the key properties of CID 144985274?
CID 144985274 has a molecular weight of 327.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144985274 is sourced from PubChem (CID 144985274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).