4-amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one

C8H10F3N3O3 — CID 15659077

IUPAC4-amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one
SMILESNc1ccn(C(OCCO)C(F)(F)F)c(=O)n1
InChIInChI=1S/C8H10F3N3O3/c9-8(10,11)6(17-4-3-15)14-2-1-5(12)13-7(14)16/h1-2,6,15H,3-4H2,(H2,12,13,16)
InChIKeyOBOUMRUCICYOPC-UHFFFAOYSA-N
MW253.18 g/mol
LogP-0.10
Rot. Bonds4

About 4-amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one

4-amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one (PubChem CID 15659077) has the molecular formula C8H10F3N3O3 and a molecular weight of 253.18 g/mol. Its IUPAC name is 4-amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one
PubChem CID15659077
Molecular FormulaC8H10F3N3O3
Molecular Weight253.18 g/mol
Exact Mass253.07
IUPAC Name4-amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one
SMILESNc1ccn(C(OCCO)C(F)(F)F)c(=O)n1
InChIInChI=1S/C8H10F3N3O3/c9-8(10,11)6(17-4-3-15)14-2-1-5(12)13-7(14)16/h1-2,6,15H,3-4H2,(H2,12,13,16)
InChIKeyOBOUMRUCICYOPC-UHFFFAOYSA-N
XLogP-0.10
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxaselenolan-5-yl]pyrimidin-2-one
CID 467472
4-amino-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxaselenolan-5-yl]pyrimidin-2-one
CID 482104
1-((2-Hydroxyethoxy)methyl)cytosine
CID 512647
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxaselenolan-5-yl]pyrimidin-2-one
CID 478453
4-amino-1-[(1R)-1-(1,3-dihydroxypropan-2-yloxy)-2-fluoroethyl]pyrimidin-2-one
CID 9921210
4-Amino-1-[2,2-difluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one
CID 15659075
4-Amino-1-[2,2-difluoro-3-hydroxy-1-(2-hydroxyethoxy)propyl]pyrimidin-2-one
CID 67680583
4-amino-1-[(1R)-2,2-difluoro-3-hydroxy-1-(1-hydroxypropan-2-yloxy)propyl]pyrimidin-2-one
CID 68163763
4-amino-1-[1-[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one
CID 69025549
4-amino-1-[[(2R)-4,4-difluoro-1,3-dihydroxybutan-2-yl]oxymethyl]pyrimidin-2-one
CID 70852603
4-amino-1-[(1R)-1-[(4S)-2,4-dihydroxypentan-3-yl]oxy-2-fluoroethyl]pyrimidin-2-one
CID 70854217
4-amino-1-[1-[(2R)-4-fluoro-1,3-dihydroxybutan-2-yl]oxyethyl]pyrimidin-2-one
CID 70918307

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one (CID 15659077) is 4-amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one is Nc1ccn(C(OCCO)C(F)(F)F)c(=O)n1.
What is the InChIKey of 4-amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one?
The InChIKey is OBOUMRUCICYOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O3/c9-8(10,11)6(17-4-3-15)14-2-1-5(12)13-7(14)16/h1-2,6,15H,3-4H2,(H2,12,13,16).
What are the key properties of 4-amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one?
4-amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one has a molecular weight of 253.18 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2,2,2-trifluoro-1-(2-hydroxyethoxy)ethyl]pyrimidin-2-one is sourced from PubChem (CID 15659077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).