2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one

C9H10F3N3O — CID 136736697

IUPAC2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2(C(F)(F)F)CC2)cc(=O)[nH]1
InChIInChI=1S/C9H10F3N3O/c1-5-13-6(4-7(16)14-5)15-8(2-3-8)9(10,11)12/h4H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyVADVUCKHCCMISV-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.59
Rot. Bonds2

About 2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one

2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one (PubChem CID 136736697) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
PubChem CID136736697
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
SMILESCc1nc(NC2(C(F)(F)F)CC2)cc(=O)[nH]1
InChIInChI=1S/C9H10F3N3O/c1-5-13-6(4-7(16)14-5)15-8(2-3-8)9(10,11)12/h4H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyVADVUCKHCCMISV-UHFFFAOYSA-N
XLogP1.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-(trifluoromethyl)-1H-pyrimidin-6-one;ethane
CID 145136644
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
2-methyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136956608
2-methyl-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957958
2-cyclopropyl-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973713
2-cyclopropyl-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975604
2-cyclopropyl-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
CID 136976578
2-cyclopropyl-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976589
2-cyclopropyl-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136990018
2-cyclopropyl-4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 137009213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one (CID 136736697) is 2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one is Cc1nc(NC2(C(F)(F)F)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
The InChIKey is VADVUCKHCCMISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-5-13-6(4-7(16)14-5)15-8(2-3-8)9(10,11)12/h4H,2-3H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one has a molecular weight of 233.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136736697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).