4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one

C7H8F3N3O — CID 136956610

IUPAC4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCC(F)(F)F)nc[nH]1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)1-2-11-5-3-6(14)13-4-12-5/h3-4H,1-2H2,(H2,11,12,13,14)
InChIKeyXYMZPLJJCNLSRK-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.13
Rot. Bonds3

About 4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one

4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one (PubChem CID 136956610) has the molecular formula C7H8F3N3O and a molecular weight of 207.15 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
PubChem CID136956610
Molecular FormulaC7H8F3N3O
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCC(F)(F)F)nc[nH]1
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)1-2-11-5-3-6(14)13-4-12-5/h3-4H,1-2H2,(H2,11,12,13,14)
InChIKeyXYMZPLJJCNLSRK-UHFFFAOYSA-N
XLogP1.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-6-fluoro-1H-pyrimidin-4-one
CID 135506826
4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
4-Fluoro-6-hydroxypyrimidine
CID 135608329
4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 166556696
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485
4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728230
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728238
4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736694
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786693
4-(propylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802783
4-(ethylamino)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802785
4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819412

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one (CID 136956610) is 4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one is O=c1cc(NCCC(F)(F)F)nc[nH]1.
What is the InChIKey of 4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one?
The InChIKey is XYMZPLJJCNLSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)1-2-11-5-3-6(14)13-4-12-5/h3-4H,1-2H2,(H2,11,12,13,14).
What are the key properties of 4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one?
4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one has a molecular weight of 207.15 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136956610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).