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

C12H16F3N3O — CID 136736665

IUPAC2,4-dimethyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NC2(C(F)(F)F)CC2)c(=O)[nH]1
InChIInChI=1S/C12H16F3N3O/c1-6-9(10(19)17-8(3)16-6)7(2)18-11(4-5-11)12(13,14)15/h7,18H,4-5H2,1-3H3,(H,16,17,19)
InChIKeySJENRHPHUYWZMJ-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.13
Rot. Bonds3

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

2,4-dimethyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-1H-pyrimidin-6-one (PubChem CID 136736665) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2,4-dimethyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-1H-pyrimidin-6-one
PubChem CID136736665
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2,4-dimethyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(C)c(C(C)NC2(C(F)(F)F)CC2)c(=O)[nH]1
InChIInChI=1S/C12H16F3N3O/c1-6-9(10(19)17-8(3)16-6)7(2)18-11(4-5-11)12(13,14)15/h7,18H,4-5H2,1-3H3,(H,16,17,19)
InChIKeySJENRHPHUYWZMJ-UHFFFAOYSA-N
XLogP2.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 135931992
2-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 136145843
3-Cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 83671003
2,4-dimethyl-5-[1-(3,3,3-trifluoropropylamino)ethyl]-1H-pyrimidin-6-one
CID 136043593
2,4-dimethyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrimidin-6-one
CID 136091214
2,4-dimethyl-5-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]-1H-pyrimidin-6-one
CID 136148420
2,4-dimethyl-5-[1-(2,2,2-trifluoroethoxyamino)ethyl]-1H-pyrimidin-6-one
CID 136328433
5-(2-aminoethyl)-2-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136758124
2,4-dimethyl-5-[1-(4,4,4-trifluorobutan-2-ylamino)ethyl]-1H-pyrimidin-6-one
CID 136786637
2,4-dimethyl-5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]-1H-pyrimidin-6-one
CID 136819380
5-[1-[(2,2-difluoro-3-hydroxypropyl)amino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136849691
5-[1-[2-(2,2-difluoroethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136852734

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-1H-pyrimidin-6-one (CID 136736665) is 2,4-dimethyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-1H-pyrimidin-6-one is Cc1nc(C)c(C(C)NC2(C(F)(F)F)CC2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-1H-pyrimidin-6-one?
The InChIKey is SJENRHPHUYWZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-6-9(10(19)17-8(3)16-6)7(2)18-11(4-5-11)12(13,14)15/h7,18H,4-5H2,1-3H3,(H,16,17,19).
What are the key properties of 2,4-dimethyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-1H-pyrimidin-6-one has a molecular weight of 275.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136736665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).