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

C8H11F3N4O — CID 137009245

IUPAC5-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
SMILESCCN(CC(F)(F)F)c1nc[nH]c(=O)c1N
InChIInChI=1S/C8H11F3N4O/c1-2-15(3-8(9,10)11)6-5(12)7(16)14-4-13-6/h4H,2-3,12H2,1H3,(H,13,14,16)
InChIKeyYWKJSMSMIBFJFY-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.74
Rot. Bonds3

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

5-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one (PubChem CID 137009245) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is 5-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
PubChem CID137009245
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name5-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
SMILESCCN(CC(F)(F)F)c1nc[nH]c(=O)c1N
InChIInChI=1S/C8H11F3N4O/c1-2-15(3-8(9,10)11)6-5(12)7(16)14-4-13-6/h4H,2-3,12H2,1H3,(H,13,14,16)
InChIKeyYWKJSMSMIBFJFY-UHFFFAOYSA-N
XLogP0.74
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 2,4-diamino-1,6-dihydro-1-methyl-6-oxo-5-trifluoroacetamido-
CID 130154906
pyrimidine, 2,4-diamino-6-hydroxy-5-(N-methyl)trifluoroacetamido-
CID 137273006
5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
Pyrimidine, 4-amino-5-diethylamino-6-hydroxy-
CID 171384005
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
N-[6,8-dioxo-7-(2,2,2-trifluoroethyl)-1,9-dihydropurin-2-yl]acetamide
CID 156392440
2-amino-9-methyl-7-(3,3,3-trifluoropropyl)-1H-purine-6,8-dione
CID 156435329
7-(3-Chloro-4,4,4-trifluorobut-2-enyl)-9-methyl-1,8-dihydropurin-6-one
CID 173226750
N-[6,8-dioxo-7-(1,2,2-trifluoroethyl)-1,9-dihydropurin-2-yl]acetamide
CID 175363975
7-(3,3,3-Trifluoropropyl)-1,9-dihydropurine-6,8-dione
CID 175808724
7-(4,4,4-Trifluorobutyl)-1,9-dihydropurine-6,8-dione
CID 176101528

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one (CID 137009245) is 5-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one is CCN(CC(F)(F)F)c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is YWKJSMSMIBFJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c1-2-15(3-8(9,10)11)6-5(12)7(16)14-4-13-6/h4H,2-3,12H2,1H3,(H,13,14,16).
What are the key properties of 5-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 236.20 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137009245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).