5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one

C7H9F3N4O — CID 136975603

IUPAC5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCC(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)1-2-12-5-4(11)6(15)14-3-13-5/h3H,1-2,11H2,(H2,12,13,14,15)
InChIKeyLSVRFNPAXFBRRT-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.72
Rot. Bonds3

About 5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one

5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one (PubChem CID 136975603) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
PubChem CID136975603
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCCC(F)(F)F)nc[nH]c1=O
InChIInChI=1S/C7H9F3N4O/c8-7(9,10)1-2-12-5-4(11)6(15)14-3-13-5/h3H,1-2,11H2,(H2,12,13,14,15)
InChIKeyLSVRFNPAXFBRRT-UHFFFAOYSA-N
XLogP0.72
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5,6,7,8-Tetrahydropteridin-4(1H)-one
CID 135755335
5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
5-amino-4-[2-aminoethyl(2,2-difluoroethyl)amino]-1H-pyrimidin-6-one
CID 136728232
5-amino-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
CID 136736699
5-amino-4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyrimidin-6-one
CID 136786689
5-amino-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790778
5-amino-4-[(3,3-difluoro-2-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136790789
5-amino-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819406
5-amino-4-[2-(trifluoromethylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136842338
5-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-1H-pyrimidin-6-one
CID 136849682
5-amino-4-[2-aminoethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136932130

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one (CID 136975603) is 5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one is Nc1c(NCCC(F)(F)F)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one?
The InChIKey is LSVRFNPAXFBRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c8-7(9,10)1-2-12-5-4(11)6(15)14-3-13-5/h3H,1-2,11H2,(H2,12,13,14,15).
What are the key properties of 5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one?
5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one has a molecular weight of 222.17 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136975603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).