6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one

C8H10F3N3O — CID 83849649

IUPAC6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESNCCCc1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6-4-5(2-1-3-12)13-7(15)14-6/h4H,1-3,12H2,(H,13,14,15)
InChIKeyVYFNGIIIBYMQPN-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.68
Rot. Bonds3

About 6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one

6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 83849649) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID83849649
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESNCCCc1cc(C(F)(F)F)nc(=O)[nH]1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6-4-5(2-1-3-12)13-7(15)14-6/h4H,1-3,12H2,(H,13,14,15)
InChIKeyVYFNGIIIBYMQPN-UHFFFAOYSA-N
XLogP0.68
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-difluoroethyl)-6-methyl-1H-pyrimidin-2-one
CID 123325986
6-(2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 11117547
2(1H)-Pyrimidinone, 4-(1-methylethyl)-6-(trifluoromethyl)-
CID 13320944
1-(4-Amino-1,1,1-trifluorobutan-2-yl)-4,6-dimethylpyrimidin-2-one
CID 43753201
2-Hydroxy-6-cyclopropyl-4-(trifluoromethyl)pyrimidine
CID 66545639
6-(aminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 82402396
6-(1-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848427
6-(2-aminoethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848428
6-(methylaminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83848429
6-(2-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83849648
6-(1-amino-2-methylpropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83850724
6-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83851234

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one (CID 83849649) is 6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is NCCCc1cc(C(F)(F)F)nc(=O)[nH]1.
What is the InChIKey of 6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is VYFNGIIIBYMQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)6-4-5(2-1-3-12)13-7(15)14-6/h4H,1-3,12H2,(H,13,14,15).
What are the key properties of 6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one?
6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 221.18 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 83849649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).