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

C8H9F3N4O — CID 136736699

IUPAC5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
SMILESNc1c(NC2(C(F)(F)F)CC2)nc[nH]c1=O
InChIInChI=1S/C8H9F3N4O/c9-8(10,11)7(1-2-7)15-5-4(12)6(16)14-3-13-5/h3H,1-2,12H2,(H2,13,14,15,16)
InChIKeyRNRNUKJOUPJOJI-UHFFFAOYSA-N
MW234.18 g/mol
LogP0.86
Rot. Bonds2

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

5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one (PubChem CID 136736699) has the molecular formula C8H9F3N4O and a molecular weight of 234.18 g/mol. Its IUPAC name is 5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
PubChem CID136736699
Molecular FormulaC8H9F3N4O
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC Name5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
SMILESNc1c(NC2(C(F)(F)F)CC2)nc[nH]c1=O
InChIInChI=1S/C8H9F3N4O/c9-8(10,11)7(1-2-7)15-5-4(12)6(16)14-3-13-5/h3H,1-2,12H2,(H2,13,14,15,16)
InChIKeyRNRNUKJOUPJOJI-UHFFFAOYSA-N
XLogP0.86
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728232
4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736694
5-iodo-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736701
5-amino-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786689
5-amino-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819406
5-amino-4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136932130
5-amino-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973712
5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975603
5-amino-4-(2,2-difluoroethylamino)-1H-pyrimidin-6-one
CID 136976577
5-amino-4-(4,4,4-trifluorobutylamino)-1H-pyrimidin-6-one
CID 136976588
5-amino-4-[(3-amino-2,2-difluoropropyl)amino]-1H-pyrimidin-6-one
CID 136979151
5-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 137009784

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one (CID 136736699) is 5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one is Nc1c(NC2(C(F)(F)F)CC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
The InChIKey is RNRNUKJOUPJOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O/c9-8(10,11)7(1-2-7)15-5-4(12)6(16)14-3-13-5/h3H,1-2,12H2,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one has a molecular weight of 234.18 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136736699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).