4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one

C9H12F3N3O3 — CID 136932120

IUPAC4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CCO)CC(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C9H12F3N3O3/c1-18-6-7(13-5-14-8(6)17)15(2-3-16)4-9(10,11)12/h5,16H,2-4H2,1H3,(H,13,14,17)
InChIKeyRIVPLNYAHCNICT-UHFFFAOYSA-N
MW267.21 g/mol
LogP0.14
Rot. Bonds5

About 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136932120) has the molecular formula C9H12F3N3O3 and a molecular weight of 267.21 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136932120
Molecular FormulaC9H12F3N3O3
Molecular Weight267.21 g/mol
Exact Mass267.08
IUPAC Name4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N(CCO)CC(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C9H12F3N3O3/c1-18-6-7(13-5-14-8(6)17)15(2-3-16)4-9(10,11)12/h5,16H,2-4H2,1H3,(H,13,14,17)
InChIKeyRIVPLNYAHCNICT-UHFFFAOYSA-N
XLogP0.14
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136932120) is 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one is COc1c(N(CCO)CC(F)(F)F)nc[nH]c1=O.
What is the InChIKey of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is RIVPLNYAHCNICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O3/c1-18-6-7(13-5-14-8(6)17)15(2-3-16)4-9(10,11)12/h5,16H,2-4H2,1H3,(H,13,14,17).
What are the key properties of 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 267.21 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136932120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).