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

C8H8F3N3O — CID 136736694

IUPAC4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC2(C(F)(F)F)CC2)nc[nH]1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)7(1-2-7)14-5-3-6(15)13-4-12-5/h3-4H,1-2H2,(H2,12,13,14,15)
InChIKeyOBKFSDJTUQUIJA-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.28
Rot. Bonds2

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

4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one (PubChem CID 136736694) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
PubChem CID136736694
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC2(C(F)(F)F)CC2)nc[nH]1
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)7(1-2-7)14-5-3-6(15)13-4-12-5/h3-4H,1-2H2,(H2,12,13,14,15)
InChIKeyOBKFSDJTUQUIJA-UHFFFAOYSA-N
XLogP1.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropane;4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 174641979
5-bromo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736695
5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736699
5-chloro-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736700
5-iodo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736701
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786693
4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819412
4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136955984
4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136956610
4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
CID 136957014
4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136957051
4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957057

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one (CID 136736694) is 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one is O=c1cc(NC2(C(F)(F)F)CC2)nc[nH]1.
What is the InChIKey of 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
The InChIKey is OBKFSDJTUQUIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)7(1-2-7)14-5-3-6(15)13-4-12-5/h3-4H,1-2H2,(H2,12,13,14,15).
What are the key properties of 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one has a molecular weight of 219.17 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136736694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).