4-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

C8H10F3N3O2 — CID 136890492

IUPAC4-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESNCc1cc(=O)[nH]c(COCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)4-16-3-6-13-5(2-12)1-7(15)14-6/h1H,2-4,12H2,(H,13,14,15)
InChIKeyJOEHIZHADMOPOX-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.31
Rot. Bonds4

About 4-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one

4-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136890492) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 4-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
PubChem CID136890492
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name4-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
SMILESNCc1cc(=O)[nH]c(COCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)4-16-3-6-13-5(2-12)1-7(15)14-6/h1H,2-4,12H2,(H,13,14,15)
InChIKeyJOEHIZHADMOPOX-UHFFFAOYSA-N
XLogP0.31
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 63827173
2-[[2-(2,2-Difluoroethoxy)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 105910009
4-[(2-methoxyethylamino)methyl]-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136095484
4-[(2-methoxyethylamino)methyl]-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136283607
N-[(6-Hydroxy-2-methylpyrimidin-4-YL)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 136662120
4-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842531
2-[2-(2,2-difluoroethoxy)ethyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 136842536
4-(ethylaminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842537
2-[2-(2,2-difluoroethoxy)ethyl]-4-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 136842538
4-(propylaminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842539
2-[2-(2,2-difluoroethoxy)ethyl]-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136842540
4-[(2-methoxyethylamino)methyl]-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842549

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one (CID 136890492) is 4-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is NCc1cc(=O)[nH]c(COCC(F)(F)F)n1.
What is the InChIKey of 4-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is JOEHIZHADMOPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)4-16-3-6-13-5(2-12)1-7(15)14-6/h1H,2-4,12H2,(H,13,14,15).
What are the key properties of 4-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one?
4-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 237.18 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136890492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).