2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one

C10H14F3N3O — CID 136975606

IUPAC2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCC(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C10H14F3N3O/c1-6(2)9-15-7(5-8(17)16-9)14-4-3-10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17)
InChIKeyOFPWERFQJZXOHR-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.26
Rot. Bonds4

About 2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one

2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one (PubChem CID 136975606) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
PubChem CID136975606
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCC(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C10H14F3N3O/c1-6(2)9-15-7(5-8(17)16-9)14-4-3-10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17)
InChIKeyOFPWERFQJZXOHR-UHFFFAOYSA-N
XLogP2.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylpropylamino)methyl]-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136095568
2-(1-aminopropan-2-yl)-4-(difluoromethyl)-1H-pyrimidin-6-one
CID 136103432
4-(difluoromethyl)-2-[2-(methylamino)ethyl]-1H-pyrimidin-6-one
CID 136103440
2-[2-(methylamino)ethyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103461
2-(1-aminopropan-2-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103466
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136728227
4-[2-aminoethyl(2,2-difluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136728229
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136728234
4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136728236
2-ethyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736696
2-methyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786687
2-cyclopropyl-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786691

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one (CID 136975606) is 2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one is CC(C)c1nc(NCCC(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one?
The InChIKey is OFPWERFQJZXOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-6(2)9-15-7(5-8(17)16-9)14-4-3-10(11,12)13/h5-6H,3-4H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one?
2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one has a molecular weight of 249.24 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136975606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).